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

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-methylsulfonyl-N-[[4-(methylthio)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-mesyl-N-[4-(methylthio)benzyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S2/c1-25-17-9-7-14(8-10-17)12-20-19(22)18-11-15-5-3-4-6-16(15)13-21(18)26(2,23)24/h3-10,18H,11-13H2,1-2H3,(H,20,22)