2-(4-methylphenyl)sulfonyl-9-nitro-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonine

Systemtic Name: 2-(4-methylphenyl)sulfonyl-9-nitro-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonine Openeye Name: 9-nitro-2-(p-tolylsulfonyl)-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonine CAS Name: 2-(4-methylphenyl)sulfonyl-9-nitro-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonine IUPAC Name: 2-(4-methylphenyl)sulfonyl-9-nitro-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonine Traditional Name: 9-nitro-2-tosyl-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonine Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CNCCOC3=C(O2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2CNCCOC3=C(O2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-12-2-5-14(6-3-12)26(22,23)17-11-18-8-9-24-16-10-13(19(20)21)4-7-15(16)25-17/h2-7,10,17-18H,8-9,11H2,1H3