3,4-dihydro-1H-isoquinolin-2-yl-[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[(4-tosylpiperazino)methyl]phenyl]methanone Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H31N3O3S/c1-22-9-11-27(12-10-22)35(33,34)31-17-15-29(16-18-31)20-23-5-4-8-25(19-23)28(32)30-14-13-24-6-2-3-7-26(24)21-30/h2-12,19H,13-18,20-21H2,1H3