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

Systemtic Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]-(phenylsulfonyl)amino]ethanoic acid Openeye Name: 2-[benzenesulfonyl-[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]amino]acetic acid CAS Name: 2-[benzenesulfonyl-[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-5-benzimidazolyl]amino]acetic acid IUPAC Name: 2-[benzenesulfonyl-[2-[(4-carbamimidoylphenoxy)methyl]-1-methylbenzimidazol-5-yl]amino]acetic acid Traditional Name: 2-[[2-[(4-amidinophenoxy)methyl]-1-methyl-benzimidazol-5-yl]-besyl-amino]acetic acid Formula: C24H23N5O5S MolecularWeight: 493.53492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC=C3)N=C1COC4=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=C1COC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C24H23N5O5S/c1-28-21-12-9-17(29(14-23(30)31)35(32,33)19-5-3-2-4-6-19)13-20(21)27-22(28)15-34-18-10-7-16(8-11-18)24(25)26/h2-13H,14-15H2,1H3,(H3,25,26)(H,30,31)