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

Systemtic Name: 4-[(4-carbamimidoylphenyl)sulfonyl-methyl-amino]-2-phenoxy-butanoic acid Openeye Name: 4-[(4-carbamimidoylphenyl)sulfonyl-methyl-amino]-2-phenoxy-butanoic acid CAS Name: 4-[(4-carbamimidoylphenyl)sulfonyl-methylamino]-2-phenoxybutanoic acid IUPAC Name: 4-[(4-carbamimidoylphenyl)sulfonyl-methylamino]-2-phenoxybutanoic acid Traditional Name: 4-[(4-amidinophenyl)sulfonyl-methyl-amino]-2-phenoxy-butyric acid Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(C(=O)O)OC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CN(CCC(C(=O)O)OC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H21N3O5S/c1-21(27(24,25)15-9-7-13(8-10-15)17(19)20)12-11-16(18(22)23)26-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H3,19,20)(H,22,23)