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

Systemtic Name: 4-methylbenzenesulfonic acid; N-(4-phenylpiperidin-4-yl)ethanamide Openeye Name: 4-methylbenzenesulfonic acid; N-(4-phenyl-4-piperidyl)acetamide CAS Name: 4-methylbenzenesulfonic acid; N-(4-phenyl-4-piperidinyl)acetamide IUPAC Name: 4-methylbenzenesulfonic acid; N-(4-phenylpiperidin-4-yl)acetamide Traditional Name: N-(4-phenyl-4-piperidyl)acetamide; tosylic acid Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)NC1(CCNCC1)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)NC1(CCNCC1)C2=CC=CC=C2

InChI

InChI=1S/C13H18N2O.C7H8O3S/c1-11(16)15-13(7-9-14-10-8-13)12-5-3-2-4-6-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,14H,7-10H2,1H3,(H,15,16);2-5H,1H3,(H,8,9,10)