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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-methyl-3-nitro-benzenesulfonamide Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O6S/c1-17-26(22,23)12-4-5-13(14(10-12)19(20)21)18-11-3-6-15-16(9-11)25-8-2-7-24-15/h3-6,9-10,17-18H,2,7-8H2,1H3