N-[2-(dimethylamino)cyclohexyl]-3-(trifluoromethyl)benzamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[2-(dimethylamino)cyclohexyl]-3-(trifluoromethyl)benzamide; 4-methylbenzenesulfonic acid Openeye Name: N-[2-(dimethylamino)cyclohexyl]-3-(trifluoromethyl)benzamide; 4-methylbenzenesulfonic acid CAS Name: N-[2-(dimethylamino)cyclohexyl]-3-(trifluoromethyl)benzamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[2-(dimethylamino)cyclohexyl]-3-(trifluoromethyl)benzamide; 4-methylbenzenesulfonic acid Traditional Name: N-[2-(dimethylamino)cyclohexyl]-3-(trifluoromethyl)benzamide; tosylic acid Formula: C23H29F3N2O4S MolecularWeight: 486.54757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)C1CCCCC1NC(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)C1CCCCC1NC(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H21F3N2O.C7H8O3S/c1-21(2)14-9-4-3-8-13(14)20-15(22)11-6-5-7-12(10-11)16(17,18)19;1-6-2-4-7(5-3-6)11(8,9)10/h5-7,10,13-14H,3-4,8-9H2,1-2H3,(H,20,22);2-5H,1H3,(H,8,9,10)