4-methylbenzenesulfonic acid; 1-phenyl-N-piperidin-4-yl-methanesulfonamide

Systemtic Name: 4-methylbenzenesulfonic acid; 1-phenyl-N-piperidin-4-yl-methanesulfonamide Openeye Name: 4-methylbenzenesulfonic acid; 1-phenyl-N-(4-piperidyl)methanesulfonamide CAS Name: 4-methylbenzenesulfonic acid; 1-phenyl-N-(4-piperidinyl)methanesulfonamide IUPAC Name: 4-methylbenzenesulfonic acid; 1-phenyl-N-piperidin-4-ylmethanesulfonamide Traditional Name: 1-phenyl-N-(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.C1CNCCC1NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCCC1NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H18N2O2S.C7H8O3S/c15-17(16,10-11-4-2-1-3-5-11)14-12-6-8-13-9-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,12-14H,6-10H2;2-5H,1H3,(H,8,9,10)