2-methyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-methyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-methyl-1-[1-(m-tolylsulfonyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-methyl-1-[1-(3-methylphenyl)sulfonyl-4-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-methyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-methyl-1-[1-(m-tolylsulfonyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C3C4=CC=CC=C4CCN3C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C3C4=CC=CC=C4CCN3C

InChI

InChI=1S/C22H28N2O2S/c1-17-6-5-8-20(16-17)27(25,26)24-14-11-19(12-15-24)22-21-9-4-3-7-18(21)10-13-23(22)2/h3-9,16,19,22H,10-15H2,1-2H3