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

Systemtic Name: [3-(2,2-diphenylethyl)-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl]methyl 4-methylbenzenesulfonate Openeye Name: [3-(2,2-diphenylethyl)-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(2,2-diphenylethyl)-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl]methyl ester IUPAC Name: [3-(2,2-diphenylethyl)-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(2,2-diphenylethyl)-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl]methyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN=C(NO2)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN=C(NO2)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S/c1-19-12-14-23(15-13-19)32(28,29)30-18-22-17-26-25(27-31-22)16-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22,24H,16-18H2,1H3,(H,26,27)