4-methylbenzenesulfonic acid; N-(4-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide

Systemtic Name: 4-methylbenzenesulfonic acid; N-(4-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide Openeye Name: 4-methylbenzenesulfonic acid; N-(4-phenyl-4-piperidyl)pyrrolidine-1-carboxamide CAS Name: 4-methylbenzenesulfonic acid; N-(4-phenyl-4-piperidinyl)-1-pyrrolidinecarboxamide IUPAC Name: 4-methylbenzenesulfonic acid; N-(4-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide Traditional Name: N-(4-phenyl-4-piperidyl)pyrrolidine-1-carboxamide; tosylic acid Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(C1)C(=O)NC2(CCNCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(C1)C(=O)NC2(CCNCC2)C3=CC=CC=C3

InChI

InChI=1S/C16H23N3O.C7H8O3S/c20-15(19-12-4-5-13-19)18-16(8-10-17-11-9-16)14-6-2-1-3-7-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6-7,17H,4-5,8-13H2,(H,18,20);2-5H,1H3,(H,8,9,10)