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

Systemtic Name: 4-methylbenzenesulfonic acid; N-(4-phenylpiperidin-4-yl)methanesulfonamide Openeye Name: 4-methylbenzenesulfonic acid; N-(4-phenyl-4-piperidyl)methanesulfonamide CAS Name: 4-methylbenzenesulfonic acid; N-(4-phenyl-4-piperidinyl)methanesulfonamide IUPAC Name: 4-methylbenzenesulfonic acid; N-(4-phenylpiperidin-4-yl)methanesulfonamide Traditional Name: N-(4-phenyl-4-piperidyl)methanesulfonamide; tosylic acid Formula: C19H26N2O5S2 MolecularWeight: 426.55014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2S.C7H8O3S/c1-17(15,16)14-12(7-9-13-10-8-12)11-5-3-2-4-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,13-14H,7-10H2,1H3;2-5H,1H3,(H,8,9,10)