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

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(p-tolylsulfonyl)propan-1-one CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-(4-methylphenyl)sulfonyl-1-propanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)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)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3S/c1-16-3-7-19(8-4-16)28(26,27)14-9-21(25)24-12-10-23(11-13-24)20-15-18(22)6-5-17(20)2/h3-8,15H,9-14H2,1-2H3