ethyl 2-[[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-isoquinolin-5-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-isoquinolin-5-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(5-isoquinolylsulfonyl)amino]acetate CAS Name: 2-[[1-[3-(4-cyanophenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-(5-isoquinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-isoquinolin-5-ylsulfonylamino]acetate Traditional Name: 2-[[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(5-isoquinolylsulfonyl)amino]acetic acid ethyl ester Formula: C32H30N4O5S MolecularWeight: 582.6694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C32H30N4O5S/c1-2-41-32(38)22-36(42(39,40)30-7-3-5-26-21-34-17-16-28(26)30)27-13-14-29-25(19-27)6-4-18-35(29)31(37)15-12-23-8-10-24(20-33)11-9-23/h3,5,7-11,13-14,16-17,19,21H,2,4,6,12,15,18,22H2,1H3