N-(3-methylsulfanylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-methylsulfonyl-N-[3-(methylthio)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-mesyl-N-[3-(methylthio)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

InChI

InChI=1S/C18H20N2O3S2/c1-24-16-9-5-8-15(11-16)19-18(21)17-10-13-6-3-4-7-14(13)12-20(17)25(2,22)23/h3-9,11,17H,10,12H2,1-2H3,(H,19,21)