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

Systemtic Name: 4-methylbenzenesulfonic acid; N-[4-phenyl-1-(phenylmethyl)piperidin-4-yl]cyclobutanecarboxamide Openeye Name: N-(1-benzyl-4-phenyl-4-piperidyl)cyclobutanecarboxamide; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; N-[4-phenyl-1-(phenylmethyl)-4-piperidinyl]cyclobutanecarboxamide IUPAC Name: N-(1-benzyl-4-phenylpiperidin-4-yl)cyclobutanecarboxamide; 4-methylbenzenesulfonic acid Traditional Name: N-(1-benzyl-4-phenyl-4-piperidyl)cyclobutanecarboxamide; tosylic acid Formula: C30H36N2O4S MolecularWeight: 520.68284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(C1)C(=O)NC2(CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(C1)C(=O)NC2(CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N2O.C7H8O3S/c26-22(20-10-7-11-20)24-23(21-12-5-2-6-13-21)14-16-25(17-15-23)18-19-8-3-1-4-9-19;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,8-9,12-13,20H,7,10-11,14-18H2,(H,24,26);2-5H,1H3,(H,8,9,10)