1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-(5-chloro-2-methyl-phenyl)piperazino]propan-1-one Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O3S/c1-16-7-8-17(21)15-19(16)22-10-12-23(13-11-22)20(24)9-14-27(25,26)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3