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

Systemtic Name: methyl 2-[[2-[[(4-cyanophenyl)-methyl-amino]methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: methyl 2-[[2-[(4-cyano-N-methyl-anilino)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-cyano-N-methylanilino)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-cyano-N-methylanilino)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[(4-cyano-N-methyl-anilino)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid methyl ester Formula: C29H26N6O4S MolecularWeight: 554.61954

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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

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

InChI

InChI=1S/C29H26N6O4S/c1-33(22-11-9-20(17-30)10-12-22)18-27-32-24-16-23(13-14-25(24)34(27)2)35(19-28(36)39-3)40(37,38)26-8-4-6-21-7-5-15-31-29(21)26/h4-16H,18-19H2,1-3H3