3-(2,4-dimethylphenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(2,4-dimethylphenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(2,4-dimethylphenyl)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one Traditional Name: 1-(4-besylpiperazino)-3-(2,4-dimethylphenyl)propan-1-one Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-17-8-9-19(18(2)16-17)10-11-21(24)22-12-14-23(15-13-22)27(25,26)20-6-4-3-5-7-20/h3-9,16H,10-15H2,1-2H3