(3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl 4-methylbenzenesulfonate Openeye Name: (3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl ester IUPAC Name: (3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN=C(NO2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN=C(NO2)C3=CC=CC=C3

InChI

InChI=1S/C17H18N2O4S/c1-13-7-9-16(10-8-13)24(20,21)22-12-15-11-18-17(19-23-15)14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3,(H,18,19)