3-[[2-[(2-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[2-[(2-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethyl]sulfamoyl]benzoic acid Openeye Name: 3-[[2-(4-benzyloxy-3-methoxy-phenyl)-2-(2-carbamimidoylanilino)ethyl]sulfamoyl]benzoic acid CAS Name: 3-[[2-(2-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[2-(2-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]sulfamoyl]benzoic acid Traditional Name: 3-[[2-(2-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)ethyl]sulfamoyl]benzoic acid Formula: C30H30N4O6S MolecularWeight: 574.6474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CNS(=O)(=O)C2=CC=CC(=C2)C(=O)O)NC3=CC=CC=C3C(=N)N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(CNS(=O)(=O)C2=CC=CC(=C2)C(=O)O)NC3=CC=CC=C3C(=N)N)OCC4=CC=CC=C4

InChI

InChI=1S/C30H30N4O6S/c1-39-28-17-21(14-15-27(28)40-19-20-8-3-2-4-9-20)26(34-25-13-6-5-12-24(25)29(31)32)18-33-41(37,38)23-11-7-10-22(16-23)30(35)36/h2-17,26,33-34H,18-19H2,1H3,(H3,31,32)(H,35,36)