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

Systemtic Name: 3-[2-[(4-carbamimidoylphenyl)-(3-methoxy-4-phenylmethoxy-phenyl)amino]ethylsulfamoyl]benzoic acid Openeye Name: 3-[2-(N-(4-benzyloxy-3-methoxy-phenyl)-4-carbamimidoyl-anilino)ethylsulfamoyl]benzoic acid CAS Name: 3-[2-(4-carbamimidoyl-N-(3-methoxy-4-phenylmethoxyphenyl)anilino)ethylsulfamoyl]benzoic acid IUPAC Name: 3-[2-(4-carbamimidoyl-N-(3-methoxy-4-phenylmethoxyphenyl)anilino)ethylsulfamoyl]benzoic acid Traditional Name: 3-[2-(4-amidino-N-(4-benzoxy-3-methoxy-phenyl)anilino)ethylsulfamoyl]benzoic acid Formula: C30H30N4O6S MolecularWeight: 574.6474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N(CCNS(=O)(=O)C2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)N(CCNS(=O)(=O)C2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

InChI

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