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

Systemtic Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-fluorophenyl)propan-1-one Openeye Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-fluorophenyl)propan-1-one CAS Name: 1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-(3-fluorophenyl)-1-propanone IUPAC Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-fluorophenyl)propan-1-one Traditional Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-3-(3-fluorophenyl)propan-1-one Formula: C21H25FN2O3S MolecularWeight: 404.498203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O3S/c1-16-6-8-20(17(2)14-16)28(26,27)24-12-10-23(11-13-24)21(25)9-7-18-4-3-5-19(22)15-18/h3-6,8,14-15H,7,9-13H2,1-2H3