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Chemical ID: 7697959

CC(=O)N1CCC(CC1)N(c2ccc3c(c2)OCO3)S(=O)(=O)c4ccccc4

Chemical ID:

7697959

Name [?]:

None

SMILES [?]:

CC(=O)N1CCC(CC1)N(c2ccc3c(c2)OCO3)S(=O)(=O)c4ccccc4

InChi [?]:

InChI=1/C20H22N2O5S/c1-15(23)21-11-9-16(10-12-21)22(28(24,25)18-5-3-2-4-6-18)17-7-8-19-20(13-17)27-14-26-19/h2-8,13,16H,9-12,14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,26,25,27,24,28,12,13,6,8,5,9,16,18,2,7,11,23,14,15,4,10,3,21,22,19,17,20/E:(3,4)(5,6)(9,10)(11,12)(24,25)/CRV:28.6/rA:28cCCONCCCCCNCCCCCCOCOSOOCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;s10;d20;d20;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₂N₂O₅S
All Atoms:	50
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	9.76912
Area:	579.852
Solvation:	-4.72717
Coulombic:	-39.3474

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.22
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value