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

Systemtic Name: methyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: methyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid methyl ester Formula: C29H25N5O4S MolecularWeight: 539.6049

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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=C1CCC5=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=C1CCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H25N5O4S/c1-33-25-14-13-23(17-24(25)32-27(33)15-12-20-8-10-21(18-30)11-9-20)34(19-28(35)38-2)39(36,37)26-7-3-5-22-6-4-16-31-29(22)26/h3-11,13-14,16-17H,12,15,19H2,1-2H3