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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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