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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)methyl]-5-(phenylsulfonylamino)benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[5-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[5-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[5-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-(4-amidinobenzyl)-5-(benzenesulfonamido)benzimidazol-1-yl]acetic acid Formula: C23H21N5O4S MolecularWeight: 463.50894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)CC(=O)O

InChI

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