3-methoxycarbonyl-5-[[(Z)-[(3-methoxy-4-octoxy-phenyl)-phenyl-methylidene]amino]sulfamoyl]benzoic acid

Systemtic Name: 3-methoxycarbonyl-5-[[(Z)-[(3-methoxy-4-octoxy-phenyl)-phenyl-methylidene]amino]sulfamoyl]benzoic acid Openeye Name: 3-methoxycarbonyl-5-[[(Z)-[(3-methoxy-4-octoxy-phenyl)-phenyl-methylene]amino]sulfamoyl]benzoic acid CAS Name: 3-methoxycarbonyl-5-[[(Z)-[(3-methoxy-4-octoxyphenyl)-phenylmethylidene]amino]sulfamoyl]benzoic acid IUPAC Name: 3-methoxycarbonyl-5-[[(Z)-[(3-methoxy-4-octoxyphenyl)-phenylmethylidene]amino]sulfamoyl]benzoic acid Traditional Name: 3-carbomethoxy-5-[[(Z)-[(3-methoxy-4-octoxy-phenyl)-phenyl-methylene]amino]sulfamoyl]benzoic acid Formula: C31H36N2O8S MolecularWeight: 596.69114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=NNS(=O)(=O)C2=CC(=CC(=C2)C(=O)OC)C(=O)O)C3=CC=CC=C3)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)/C(=N\NS(=O)(=O)C2=CC(=CC(=C2)C(=O)OC)C(=O)O)/C3=CC=CC=C3)OC

InChI

InChI=1S/C31H36N2O8S/c1-4-5-6-7-8-12-17-41-27-16-15-23(21-28(27)39-2)29(22-13-10-9-11-14-22)32-33-42(37,38)26-19-24(30(34)35)18-25(20-26)31(36)40-3/h9-11,13-16,18-21,33H,4-8,12,17H2,1-3H3,(H,34,35)/b32-29-