4-[[(4-carbamimidoylphenyl)sulfonyl-(1-oxidanyl-1-oxidanylidene-2-phenoxy-butan-2-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-carbamimidoylphenyl)sulfonyl-(1-oxidanyl-1-oxidanylidene-2-phenoxy-butan-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(4-carbamimidoylphenyl)sulfonyl-(1-carboxy-1-phenoxy-propyl)amino]methyl]benzoic acid CAS Name: 4-[[(4-carbamimidoylphenyl)sulfonyl-(1-hydroxy-1-oxo-2-phenoxybutan-2-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(4-carbamimidoylphenyl)sulfonyl-(1-hydroxy-1-oxo-2-phenoxybutan-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-amidinophenyl)sulfonyl-(1-carboxy-1-phenoxy-propyl)amino]methyl]benzoic acid Formula: C25H25N3O7S MolecularWeight: 511.5469

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)(N(CC1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(=N)N)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)O)(N(CC1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(=N)N)OC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O7S/c1-2-25(24(31)32,35-20-6-4-3-5-7-20)28(16-17-8-10-19(11-9-17)23(29)30)36(33,34)21-14-12-18(13-15-21)22(26)27/h3-15H,2,16H2,1H3,(H3,26,27)(H,29,30)(H,31,32)