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

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-isoquinolin-5-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-(5-isoquinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-(5-isoquinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-isoquinolin-5-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-(5-isoquinolylsulfonyl)amino]acetic acid Formula: C27H24N6O4S MolecularWeight: 528.58226

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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=CC4=C3C=CN=C4)N=C1CC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)N=C1CC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C27H24N6O4S/c1-32-23-10-9-20(14-22(23)31-25(32)13-17-5-7-18(8-6-17)27(28)29)33(16-26(34)35)38(36,37)24-4-2-3-19-15-30-12-11-21(19)24/h2-12,14-15H,13,16H2,1H3,(H3,28,29)(H,34,35)