1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-(2,3-dimethylphenyl)piperazino]propan-1-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O3S/c1-17-7-6-10-20(18(17)2)22-12-14-23(15-13-22)21(24)11-16-27(25,26)19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3