(5-azanyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (5-azanyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl ester IUPAC Name: (5-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=CC=CC(=C3N2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=CC=CC(=C3N2)N

InChI

InChI=1S/C16H18N2O4S/c1-11-5-7-13(8-6-11)23(19,20)22-10-12-9-21-15-4-2-3-14(17)16(15)18-12/h2-8,12,18H,9-10,17H2,1H3