N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-nitrophenyl)methanesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])OC1

InChI

InChI=1S/C16H16N2O6S/c19-18(20)14-5-2-1-4-12(14)11-25(21,22)17-13-6-7-15-16(10-13)24-9-3-8-23-15/h1-2,4-7,10,17H,3,8-9,11H2