[2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]-2-oxidanylidene-ethyl]-methyl-carbamic acid

Systemtic Name: [2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]-2-oxidanylidene-ethyl]-methyl-carbamic acid Openeye Name: [2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]-2-oxo-ethyl]-methyl-carbamic acid CAS Name: [2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]-2-oxoethyl]-methylcarbamic acid IUPAC Name: [2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]-2-oxoethyl]-methylcarbamic acid Traditional Name: [2-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]-2-keto-ethyl]-methyl-carbamic acid Formula: C29H27N7O5S MolecularWeight: 585.63358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(C(=O)CN(C)C(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(C(=O)CN(C)C(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C29H27N7O5S/c1-34(29(38)39)17-26(37)36(42(40,41)24-7-3-5-19-6-4-14-32-27(19)24)21-12-13-23-22(16-21)33-25(35(23)2)15-18-8-10-20(11-9-18)28(30)31/h3-14,16H,15,17H2,1-2H3,(H3,30,31)(H,38,39)