4-methylbenzenesulfonic acid; N-methyl-N-(4-phenylpiperidin-4-yl)cyclohexanecarboxamide

Systemtic Name: 4-methylbenzenesulfonic acid; N-methyl-N-(4-phenylpiperidin-4-yl)cyclohexanecarboxamide Openeye Name: 4-methylbenzenesulfonic acid; N-methyl-N-(4-phenyl-4-piperidyl)cyclohexanecarboxamide CAS Name: 4-methylbenzenesulfonic acid; N-methyl-N-(4-phenyl-4-piperidinyl)cyclohexanecarboxamide IUPAC Name: 4-methylbenzenesulfonic acid; N-methyl-N-(4-phenylpiperidin-4-yl)cyclohexanecarboxamide Traditional Name: N-methyl-N-(4-phenyl-4-piperidyl)cyclohexanecarboxamide; tosylic acid Formula: C26H36N2O4S MolecularWeight: 472.64004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C(=O)C1CCCCC1)C2(CCNCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C(=O)C1CCCCC1)C2(CCNCC2)C3=CC=CC=C3

InChI

InChI=1S/C19H28N2O.C7H8O3S/c1-21(18(22)16-8-4-2-5-9-16)19(12-14-20-15-13-19)17-10-6-3-7-11-17;1-6-2-4-7(5-3-6)11(8,9)10/h3,6-7,10-11,16,20H,2,4-5,8-9,12-15H2,1H3;2-5H,1H3,(H,8,9,10)