2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-(phenylsulfonyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-(phenylsulfonyl)amino]ethanoic acid Openeye Name: 2-[benzenesulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]amino]acetic acid CAS Name: 2-[benzenesulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]amino]acetic acid IUPAC Name: 2-[benzenesulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]amino]acetic acid Traditional Name: 2-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-besyl-amino]acetic acid Formula: C24H23N5O4S MolecularWeight: 477.53552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC=C3)N=C1CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC=C3)N=C1CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C24H23N5O4S/c1-28-21-12-11-18(29(15-23(30)31)34(32,33)19-5-3-2-4-6-19)14-20(21)27-22(28)13-16-7-9-17(10-8-16)24(25)26/h2-12,14H,13,15H2,1H3,(H3,25,26)(H,30,31)