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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2-oxidanylidene-ethanamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-N-[2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]acetamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-2-oxoacetamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-oxoacetamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-N-[2-(3-pyridyl)-2-tosyl-ethyl]acetamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4S/c1-18-8-10-22(11-9-18)33(31,32)23(20-7-4-13-26-15-20)16-27-24(29)25(30)28-14-12-19-5-2-3-6-21(19)17-28/h2-11,13,15,23H,12,14,16-17H2,1H3,(H,27,29)