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

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[4-(m-tolylmethyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[4-(3-methylbenzyl)piperazino]sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H27N3O2S/c1-18-5-4-6-19(15-18)16-22-11-13-23(14-12-22)27(25,26)24-10-9-20-7-2-3-8-21(20)17-24/h2-8,15H,9-14,16-17H2,1H3