Chemical ID: 6795057

COC(=O)CNS(=O)(=O)c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)NCC(=O)OC
Chemical ID:
6795057
Name [?]:
methyl 2-[4-[4-(methoxycarbonylmethylsulfamoyl)phenoxy]phenyl]sulfonylaminoacetate
SMILES [?]:
COC(=O)CNS(=O)(=O)c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)NCC(=O)OC
InChi [?]:
InChI=1/C18H20N2O9S2/c1-27-17(21)11-19-30(23,24)15-7-3-13(4-8-15)29-14-5-9-16(10-6-14)31(25,26)20-12-18(22)28-2/h3-10,19-20H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,12,14,18,22,11,15,19,21,5,27,13,17,10,20,3,28,6,26,4,29,8,9,24,25,2,30,16,7,23/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24,25,26)(27,28)(30,31)/CRV:30.6,31.6/rA:31nCOCOCNSOOCCCCCCOCCCCCCSOONCCOOC/rB:s1;s2;d3;s3;s5;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s19;d20;d17s21;s20;d23;d23;s23;s26;s27;d28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O9S2
All Atoms:51
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.9846
Area:699.566
Solvation:-6.50455
Coulombic:-67.0671
Bond Count [?]
All:32
Single:20
Double:12
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:472.491
H-Bond Donors:2
H-Bond Acceptors:11
XLogP:0.61
LogP (Chemaxon):0.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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