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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CC=C3Cl)C

InChI

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