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

Systemtic Name: 2-[(3-methylphenyl)sulfonyl-piperidin-4-yl-methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[m-tolylsulfonyl(4-piperidyl)methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3-methylphenyl)sulfonyl-(4-piperidinyl)methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3-methylphenyl)sulfonyl-piperidin-4-ylmethyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[m-tolylsulfonyl(4-piperidyl)methyl]-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)C(C2CCNCC2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C(C2CCNCC2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H28N2O2S/c1-17-5-4-8-21(15-17)27(25,26)22(19-9-12-23-13-10-19)24-14-11-18-6-2-3-7-20(18)16-24/h2-8,15,19,22-23H,9-14,16H2,1H3