1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[(1-ethanimidoylpiperidin-4-yl)-methylsulfonyl-amino]-2-propan-2-yl-benzimidazole-4-carboxylic acid

Systemtic Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[(1-ethanimidoylpiperidin-4-yl)-methylsulfonyl-amino]-2-propan-2-yl-benzimidazole-4-carboxylic acid Openeye Name: 1-[(7-carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)-methylsulfonyl-amino]-2-isopropyl-benzimidazole-4-carboxylic acid CAS Name: 1-[(7-carbamimidoyl-2-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]-methylsulfonylamino]-2-propan-2-yl-4-benzimidazolecarboxylic acid IUPAC Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[(1-ethanimidoylpiperidin-4-yl)-methylsulfonylamino]-2-propan-2-ylbenzimidazole-4-carboxylic acid Traditional Name: 6-[(1-acetimidoyl-4-piperidyl)-mesyl-amino]-1-[(7-amidino-2-naphthyl)methyl]-2-isopropyl-benzimidazole-4-carboxylic acid Formula: C31H37N7O4S MolecularWeight: 603.73498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=C(C=C2C(=O)O)N(C5CCN(CC5)C(=N)C)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=C(C=C2C(=O)O)N(C5CCN(CC5)C(=N)C)S(=O)(=O)C

InChI

InChI=1S/C31H37N7O4S/c1-18(2)30-35-28-26(31(39)40)15-25(38(43(4,41)42)24-9-11-36(12-10-24)19(3)32)16-27(28)37(30)17-20-5-6-21-7-8-22(29(33)34)14-23(21)13-20/h5-8,13-16,18,24,32H,9-12,17H2,1-4H3,(H3,33,34)(H,39,40)