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

Systemtic Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-cyclopropyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-cyclopropyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1-cyclopropyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-cyclopropylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1-cyclopropyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C32H29N5O4S MolecularWeight: 579.66876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(C=C3)C#N)C4CC4)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(C=C3)C#N)C4CC4)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C32H29N5O4S/c1-2-41-31(38)21-36(42(39,40)29-7-3-5-24-6-4-18-34-32(24)29)26-15-16-28-27(19-26)35-30(37(28)25-13-14-25)17-12-22-8-10-23(20-33)11-9-22/h3-11,15-16,18-19,25H,2,12-14,17,21H2,1H3