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

Systemtic Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-ethyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-ethyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1-ethyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-ethylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1-ethyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C31H29N5O4S MolecularWeight: 567.65806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)N(CC(=O)OCC)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CCC5=CC=C(C=C5)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)N(CC(=O)OCC)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H29N5O4S/c1-3-35-27-16-15-25(19-26(27)34-29(35)17-14-22-10-12-23(20-32)13-11-22)36(21-30(37)40-4-2)41(38,39)28-9-5-7-24-8-6-18-33-31(24)28/h5-13,15-16,18-19H,3-4,14,17,21H2,1-2H3