ethyl 2-[[2-[2-(4-cyanophenyl)ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-cyanophenyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(4-cyanophenyl)-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-cyanophenyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(4-cyanophenyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C31H28N4O5S MolecularWeight: 568.64282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(CCN(C2)C(=O)CC3=CC=C(C=C3)C#N)C=C1)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(CCN(C2)C(=O)CC3=CC=C(C=C3)C#N)C=C1)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C31H28N4O5S/c1-2-40-30(37)21-35(41(38,39)28-7-3-5-25-6-4-15-33-31(25)28)27-13-12-24-14-16-34(20-26(24)18-27)29(36)17-22-8-10-23(19-32)11-9-22/h3-13,15,18H,2,14,16-17,20-21H2,1H3