3-(4-chlorophenyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-chlorophenyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4-chlorophenyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(4-chlorophenyl)-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-chlorophenyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(4-chlorophenyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]propan-1-one Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)Cl

InChI

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