4-[(4-carbamimidoylphenyl)sulfonyl-(phenylmethyl)amino]-2-phenoxy-butanoic acid

Systemtic Name: 4-[(4-carbamimidoylphenyl)sulfonyl-(phenylmethyl)amino]-2-phenoxy-butanoic acid Openeye Name: 4-[benzyl-(4-carbamimidoylphenyl)sulfonyl-amino]-2-phenoxy-butanoic acid CAS Name: 4-[(4-carbamimidoylphenyl)sulfonyl-(phenylmethyl)amino]-2-phenoxybutanoic acid IUPAC Name: 4-[benzyl-(4-carbamimidoylphenyl)sulfonylamino]-2-phenoxybutanoic acid Traditional Name: 4-[(4-amidinophenyl)sulfonyl-benzyl-amino]-2-phenoxy-butyric acid Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(C(=O)O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(C(=O)O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H25N3O5S/c25-23(26)19-11-13-21(14-12-19)33(30,31)27(17-18-7-3-1-4-8-18)16-15-22(24(28)29)32-20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H3,25,26)(H,28,29)