N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-11-8-14(19(20)21)10-17(12(11)2)26(22,23)18-13-4-5-15-16(9-13)25-7-3-6-24-15/h4-5,8-10,18H,3,6-7H2,1-2H3