4-methylbenzenesulfonic acid; N-methyl-N-[4-phenyl-1-(phenylmethyl)piperidin-4-yl]cyclohexanecarboxamide

Systemtic Name: 4-methylbenzenesulfonic acid; N-methyl-N-[4-phenyl-1-(phenylmethyl)piperidin-4-yl]cyclohexanecarboxamide Openeye Name: N-(1-benzyl-4-phenyl-4-piperidyl)-N-methyl-cyclohexanecarboxamide; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; N-methyl-N-[4-phenyl-1-(phenylmethyl)-4-piperidinyl]cyclohexanecarboxamide IUPAC Name: N-(1-benzyl-4-phenylpiperidin-4-yl)-N-methylcyclohexanecarboxamide; 4-methylbenzenesulfonic acid Traditional Name: N-(1-benzyl-4-phenyl-4-piperidyl)-N-methyl-cyclohexanecarboxamide; tosylic acid Formula: C33H42N2O4S MolecularWeight: 562.76258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C(=O)C1CCCCC1)C2(CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C(=O)C1CCCCC1)C2(CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H34N2O.C7H8O3S/c1-27(25(29)23-13-7-3-8-14-23)26(24-15-9-4-10-16-24)17-19-28(20-18-26)21-22-11-5-2-6-12-22;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-6,9-12,15-16,23H,3,7-8,13-14,17-21H2,1H3;2-5H,1H3,(H,8,9,10)