5-(2-azanyl-4-methyl-1-oxidanyl-pentyl)-3-phenyl-1,3,4-oxadiazol-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: 5-(2-azanyl-4-methyl-1-oxidanyl-pentyl)-3-phenyl-1,3,4-oxadiazol-2-one; 4-methylbenzenesulfonic acid Openeye Name: 5-(2-amino-1-hydroxy-4-methyl-pentyl)-3-phenyl-1,3,4-oxadiazol-2-one; 4-methylbenzenesulfonic acid CAS Name: 5-(2-amino-1-hydroxy-4-methylpentyl)-3-phenyl-1,3,4-oxadiazol-2-one; 4-methylbenzenesulfonic acid IUPAC Name: 5-(2-amino-1-hydroxy-4-methylpentyl)-3-phenyl-1,3,4-oxadiazol-2-one; 4-methylbenzenesulfonic acid Traditional Name: 5-(2-amino-1-hydroxy-4-methyl-pentyl)-3-phenyl-1,3,4-oxadiazol-2-one; tosylic acid Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CC(C(C1=NN(C(=O)O1)C2=CC=CC=C2)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CC(C(C1=NN(C(=O)O1)C2=CC=CC=C2)O)N

InChI

InChI=1S/C14H19N3O3.C7H8O3S/c1-9(2)8-11(15)12(18)13-16-17(14(19)20-13)10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,9,11-12,18H,8,15H2,1-2H3;2-5H,1H3,(H,8,9,10)