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

Systemtic Name: N-[2-(dimethylamino)cyclohexyl]-4-ethanoyl-benzamide; 4-methylbenzenesulfonic acid Openeye Name: 4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide; 4-methylbenzenesulfonic acid CAS Name: 4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide; 4-methylbenzenesulfonic acid IUPAC Name: 4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide; 4-methylbenzenesulfonic acid Traditional Name: 4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide; tosylic acid Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)C1=CC=C(C=C1)C(=O)NC2CCCCC2N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)C1=CC=C(C=C1)C(=O)NC2CCCCC2N(C)C

InChI

InChI=1S/C17H24N2O2.C7H8O3S/c1-12(20)13-8-10-14(11-9-13)17(21)18-15-6-4-5-7-16(15)19(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h8-11,15-16H,4-7H2,1-3H3,(H,18,21);2-5H,1H3,(H,8,9,10)