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

Systemtic Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one Openeye Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(p-tolylsulfonyl)propan-1-one CAS Name: 1-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-3-(4-methylphenyl)sulfonyl-1-propanone IUPAC Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one Traditional Name: 1-[4-(3-chlorobenzyl)piperazino]-3-tosyl-propan-1-one Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-17-5-7-20(8-6-17)28(26,27)14-9-21(25)24-12-10-23(11-13-24)16-18-3-2-4-19(22)15-18/h2-8,15H,9-14,16H2,1H3