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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-benzenesulfonamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-benzenesulfonamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitrobenzenesulfonamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitrobenzenesulfonamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-benzenesulfonamide Formula: C15H15N3O6S MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])OC1

InChI

InChI=1S/C15H15N3O6S/c16-25(21,22)11-3-4-12(13(9-11)18(19)20)17-10-2-5-14-15(8-10)24-7-1-6-23-14/h2-5,8-9,17H,1,6-7H2,(H2,16,21,22)