1-(3,4-dimethoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[4-(trifluoromethyl)benzyl]piperazine Formula: C20H23F3N2O4S MolecularWeight: 444.46783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(F)(F)F)OC

InChI

InChI=1S/C20H23F3N2O4S/c1-28-18-8-7-17(13-19(18)29-2)30(26,27)25-11-9-24(10-12-25)14-15-3-5-16(6-4-15)20(21,22)23/h3-8,13H,9-12,14H2,1-2H3