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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-3-nitro-benzenesulfonamide Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c1-11-3-5-13(10-14(11)18(19)20)25(21,22)17-12-4-6-15-16(9-12)24-8-2-7-23-15/h3-6,9-10,17H,2,7-8H2,1H3