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

Systemtic Name: 4-(4-methylphenyl)sulfonyl-9-nitro-2,3,5,6-tetrahydro-1,7,4-benzodioxazonine Openeye Name: 9-nitro-4-(p-tolylsulfonyl)-2,3,5,6-tetrahydro-1,7,4-benzodioxazonine CAS Name: 4-(4-methylphenyl)sulfonyl-9-nitro-2,3,5,6-tetrahydro-1,7,4-benzodioxazonine IUPAC Name: 4-(4-methylphenyl)sulfonyl-9-nitro-2,3,5,6-tetrahydro-1,7,4-benzodioxazonine Traditional Name: 9-nitro-4-tosyl-2,3,5,6-tetrahydro-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)N2CCOC3=C(C=C(C=C3)[N+](=O)[O-])OCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCOC3=C(C=C(C=C3)[N+](=O)[O-])OCC2

InChI

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