2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2-oxidanylidene-ethanamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2-oxidanylidene-ethanamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-2-oxo-acetamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-2-oxoacetamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-oxoacetamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-2-keto-acetamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)N2CCC3=CC=CC=C3C2)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)N2CCC3=CC=CC=C3C2)C4=CN=CC=C4)C

InChI

InChI=1S/C26H27N3O4S/c1-18-9-10-23(14-19(18)2)34(32,33)24(21-8-5-12-27-15-21)16-28-25(30)26(31)29-13-11-20-6-3-4-7-22(20)17-29/h3-10,12,14-15,24H,11,13,16-17H2,1-2H3,(H,28,30)