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

Systemtic Name: 3-[[(Z)-[(4-hexadecoxy-3-methoxy-phenyl)-phenyl-methylidene]amino]sulfamoyl]-5-methoxycarbonyl-benzoic acid Openeye Name: 3-[[(Z)-[(4-hexadecoxy-3-methoxy-phenyl)-phenyl-methylene]amino]sulfamoyl]-5-methoxycarbonyl-benzoic acid CAS Name: 3-[[(Z)-[(4-hexadecoxy-3-methoxyphenyl)-phenylmethylidene]amino]sulfamoyl]-5-methoxycarbonylbenzoic acid IUPAC Name: 3-[[(Z)-[(4-hexadecoxy-3-methoxyphenyl)-phenylmethylidene]amino]sulfamoyl]-5-methoxycarbonylbenzoic acid Traditional Name: 3-carbomethoxy-5-[[(Z)-[(4-cetyloxy-3-methoxy-phenyl)-phenyl-methylene]amino]sulfamoyl]benzoic acid Formula: C39H52N2O8S MolecularWeight: 708.90378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=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

CCCCCCCCCCCCCCCCOC1=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/C39H52N2O8S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-49-35-24-23-31(29-36(35)47-2)37(30-21-18-17-19-22-30)40-41-50(45,46)34-27-32(38(42)43)26-33(28-34)39(44)48-3/h17-19,21-24,26-29,41H,4-16,20,25H2,1-3H3,(H,42,43)/b40-37-