[6-nitro-4-(phenylsulfonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methyl methanesulfonate

Systemtic Name: [6-nitro-4-(phenylsulfonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methyl methanesulfonate Openeye Name: [4-(benzenesulfonyl)-6-nitro-2,3-dihydro-1,4-benzoxazin-2-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [4-(benzenesulfonyl)-6-nitro-2,3-dihydro-1,4-benzoxazin-2-yl]methyl ester IUPAC Name: [4-(benzenesulfonyl)-6-nitro-2,3-dihydro-1,4-benzoxazin-2-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid (4-besyl-6-nitro-2,3-dihydro-1,4-benzoxazin-2-yl)methyl ester Formula: C16H16N2O8S2 MolecularWeight: 428.43684

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OCC1CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H16N2O8S2/c1-27(21,22)25-11-13-10-17(28(23,24)14-5-3-2-4-6-14)15-9-12(18(19)20)7-8-16(15)26-13/h2-9,13H,10-11H2,1H3