4-(3-methylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide

Systemtic Name: 4-(3-methylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide Openeye Name: 4-(m-tolylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide CAS Name: 4-(3-methylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-(3-methylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide Traditional Name: 4-(m-tolylsulfonyl)-N-[4-(trifluoromethyl)benzyl]piperazine-1-carboxamide Formula: C20H22F3N3O3S MolecularWeight: 441.46719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O3S/c1-15-3-2-4-18(13-15)30(28,29)26-11-9-25(10-12-26)19(27)24-14-16-5-7-17(8-6-16)20(21,22)23/h2-8,13H,9-12,14H2,1H3,(H,24,27)