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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-N-[2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]ethanamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-isopropylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-2-oxo-acetamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-N-[2-(4-propan-2-ylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]acetamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-N-[2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-N-[2-p-cumenylsulfonyl-2-(3-pyridyl)ethyl]acetamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4S/c1-19(2)20-9-11-24(12-10-20)35(33,34)25(22-8-5-14-28-16-22)17-29-26(31)27(32)30-15-13-21-6-3-4-7-23(21)18-30/h3-12,14,16,19,25H,13,15,17-18H2,1-2H3,(H,29,31)