1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-(m-tolylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-(3-methylbenzyl)piperazino]propan-1-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-18-6-5-7-19(16-18)17-22-11-13-23(14-12-22)21(24)10-15-27(25,26)20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3