4-methylbenzenesulfonic acid; N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide

Systemtic Name: 4-methylbenzenesulfonic acid; N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide Openeye Name: 4-methylbenzenesulfonic acid; N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide CAS Name: 4-methylbenzenesulfonic acid; N-methyl-N-[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]-4-(trifluoromethyl)benzamide IUPAC Name: 4-methylbenzenesulfonic acid; N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide Traditional Name: N-methyl-N-[(1R,2R)-2-pyrrolidinocyclohexyl]-4-(trifluoromethyl)benzamide; tosylic acid Formula: C26H33F3N2O4S MolecularWeight: 526.61143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C1CCCCC1N2CCCC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H25F3N2O.C7H8O3S/c1-23(16-6-2-3-7-17(16)24-12-4-5-13-24)18(25)14-8-10-15(11-9-14)19(20,21)22;1-6-2-4-7(5-3-6)11(8,9)10/h8-11,16-17H,2-7,12-13H2,1H3;2-5H,1H3,(H,8,9,10)/t16-,17-;/m1./s1