4-methylbenzenesulfonic acid; 5-(4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine

Systemtic Name: 4-methylbenzenesulfonic acid; 5-(4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine Openeye Name: 4-methylbenzenesulfonic acid; 5-(4-phenyl-4-piperidyl)-1,3,4-oxadiazol-2-amine CAS Name: 4-methylbenzenesulfonic acid; 5-(4-phenyl-4-piperidinyl)-1,3,4-oxadiazol-2-amine IUPAC Name: 4-methylbenzenesulfonic acid; 5-(4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine Traditional Name: [5-(4-phenyl-4-piperidyl)-1,3,4-oxadiazol-2-yl]amine; tosylic acid Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCCC1(C2=CC=CC=C2)C3=NN=C(O3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCCC1(C2=CC=CC=C2)C3=NN=C(O3)N

InChI

InChI=1S/C13H16N4O.C7H8O3S/c14-12-17-16-11(18-12)13(6-8-15-9-7-13)10-4-2-1-3-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,15H,6-9H2,(H2,14,17);2-5H,1H3,(H,8,9,10)