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

Systemtic Name: 4-methylbenzenesulfonic acid; N-methyl-N-(4-phenylpiperidin-4-yl)methanesulfonamide Openeye Name: 4-methylbenzenesulfonic acid; N-methyl-N-(4-phenyl-4-piperidyl)methanesulfonamide CAS Name: 4-methylbenzenesulfonic acid; N-methyl-N-(4-phenyl-4-piperidinyl)methanesulfonamide IUPAC Name: 4-methylbenzenesulfonic acid; N-methyl-N-(4-phenylpiperidin-4-yl)methanesulfonamide Traditional Name: N-methyl-N-(4-phenyl-4-piperidyl)methanesulfonamide; tosylic acid Formula: C20H28N2O5S2 MolecularWeight: 440.57672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S.C7H8O3S/c1-15(18(2,16)17)13(8-10-14-11-9-13)12-6-4-3-5-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,14H,8-11H2,1-2H3;2-5H,1H3,(H,8,9,10)