methyl 2-[[2-[[(4-carbamimidoylphenyl)-methyl-amino]methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[[2-[[(4-carbamimidoylphenyl)-methyl-amino]methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: methyl 2-[[2-[(4-carbamimidoyl-N-methyl-anilino)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-carbamimidoyl-N-methylanilino)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-carbamimidoyl-N-methylanilino)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[(4-amidino-N-methyl-anilino)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid methyl ester Formula: C29H29N7O4S MolecularWeight: 571.65006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC(=O)OC)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CN(C)C5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)OC)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CN(C)C5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C29H29N7O4S/c1-34(21-11-9-20(10-12-21)29(30)31)17-26-33-23-16-22(13-14-24(23)35(26)2)36(18-27(37)40-3)41(38,39)25-8-4-6-19-7-5-15-32-28(19)25/h4-16H,17-18H2,1-3H3,(H3,30,31)