1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]piperazine CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]piperazine Formula: C18H20F3N3O2S MolecularWeight: 399.43051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F3N3O2S/c1-13-3-4-14(2)16(11-13)27(25,26)24-9-7-23(8-10-24)17-6-5-15(12-22-17)18(19,20)21/h3-6,11-12H,7-10H2,1-2H3