4-[(4-carbamimidoylphenyl)sulfonylamino]-3-oxidanylidene-2-phenoxy-butanoic acid

Systemtic Name: 4-[(4-carbamimidoylphenyl)sulfonylamino]-3-oxidanylidene-2-phenoxy-butanoic acid Openeye Name: 4-[(4-carbamimidoylphenyl)sulfonylamino]-3-oxo-2-phenoxy-butanoic acid CAS Name: 4-[(4-carbamimidoylphenyl)sulfonylamino]-3-oxo-2-phenoxybutanoic acid IUPAC Name: 4-[(4-carbamimidoylphenyl)sulfonylamino]-3-oxo-2-phenoxybutanoic acid Traditional Name: 4-[(4-amidinophenyl)sulfonylamino]-3-keto-2-phenoxy-butyric acid Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(C(=O)CNS(=O)(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(C(=O)CNS(=O)(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C17H17N3O6S/c18-16(19)11-6-8-13(9-7-11)27(24,25)20-10-14(21)15(17(22)23)26-12-4-2-1-3-5-12/h1-9,15,20H,10H2,(H3,18,19)(H,22,23)