2-(4-chlorophenyl)sulfanyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-[(4-chlorophenyl)thio]-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-[(4-chlorophenyl)thio]-1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]propan-1-one Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S2/c1-15-4-5-16(2)20(14-15)29(26,27)24-12-10-23(11-13-24)21(25)17(3)28-19-8-6-18(22)7-9-19/h4-9,14,17H,10-13H2,1-3H3