4-methylbenzenesulfonic acid; N-(4-phenylpiperidin-4-yl)cyclobutanecarboxamide

Systemtic Name: 4-methylbenzenesulfonic acid; N-(4-phenylpiperidin-4-yl)cyclobutanecarboxamide Openeye Name: 4-methylbenzenesulfonic acid; N-(4-phenyl-4-piperidyl)cyclobutanecarboxamide CAS Name: 4-methylbenzenesulfonic acid; N-(4-phenyl-4-piperidinyl)cyclobutanecarboxamide IUPAC Name: 4-methylbenzenesulfonic acid; N-(4-phenylpiperidin-4-yl)cyclobutanecarboxamide Traditional Name: N-(4-phenyl-4-piperidyl)cyclobutanecarboxamide; tosylic acid Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(C1)C(=O)NC2(CCNCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(C1)C(=O)NC2(CCNCC2)C3=CC=CC=C3

InChI

InChI=1S/C16H22N2O.C7H8O3S/c19-15(13-5-4-6-13)18-16(9-11-17-12-10-16)14-7-2-1-3-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,7-8,13,17H,4-6,9-12H2,(H,18,19);2-5H,1H3,(H,8,9,10)