2-[3-methyl-4-(3-methylphenyl)sulfonyl-butyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[3-methyl-4-(3-methylphenyl)sulfonyl-butyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[3-methyl-4-(m-tolylsulfonyl)butyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[3-methyl-4-(3-methylphenyl)sulfonylbutyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[3-methyl-4-(3-methylphenyl)sulfonylbutyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-methyl-4-(m-tolylsulfonyl)butyl]-3,4-dihydro-1H-isoquinoline Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)CC(C)CCN2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)CC(C)CCN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H27NO2S/c1-17-6-5-9-21(14-17)25(23,24)16-18(2)10-12-22-13-11-19-7-3-4-8-20(19)15-22/h3-9,14,18H,10-13,15-16H2,1-2H3