2-[2-[(4-carbamimidoylphenyl)methyl]-4-(phenylsulfonylamino)benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)methyl]-4-(phenylsulfonylamino)benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[4-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[4-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[4-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-(4-amidinobenzyl)-4-(benzenesulfonamido)benzimidazol-1-yl]acetic acid Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2N=C(N3CC(=O)O)CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2N=C(N3CC(=O)O)CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H21N5O4S/c24-23(25)16-11-9-15(10-12-16)13-20-26-22-18(7-4-8-19(22)28(20)14-21(29)30)27-33(31,32)17-5-2-1-3-6-17/h1-12,27H,13-14H2,(H3,24,25)(H,29,30)