N-(4-methylsulfonyl-2-nitro-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

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