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

Systemtic Name: 2-[(4-carbamimidoylphenyl)sulfonylamino]-3-oxidanyl-2-phenoxy-butanoic acid Openeye Name: 2-[(4-carbamimidoylphenyl)sulfonylamino]-3-hydroxy-2-phenoxy-butanoic acid CAS Name: 2-[(4-carbamimidoylphenyl)sulfonylamino]-3-hydroxy-2-phenoxybutanoic acid IUPAC Name: 2-[(4-carbamimidoylphenyl)sulfonylamino]-3-hydroxy-2-phenoxybutanoic acid Traditional Name: 2-[(4-amidinophenyl)sulfonylamino]-3-hydroxy-2-phenoxy-butyric acid Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)(NS(=O)(=O)C1=CC=C(C=C1)C(=N)N)OC2=CC=CC=C2)O

Isomeric SMILES

CC(C(C(=O)O)(NS(=O)(=O)C1=CC=C(C=C1)C(=N)N)OC2=CC=CC=C2)O

InChI

InChI=1S/C17H19N3O6S/c1-11(21)17(16(22)23,26-13-5-3-2-4-6-13)20-27(24,25)14-9-7-12(8-10-14)15(18)19/h2-11,20-21H,1H3,(H3,18,19)(H,22,23)