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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-N-phenyl-benzenesulfonamide Formula: C21H19N3O6S MolecularWeight: 441.45706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-])OC1

InChI

InChI=1S/C21H19N3O6S/c25-24(26)19-14-17(31(27,28)23-15-5-2-1-3-6-15)8-9-18(19)22-16-7-10-20-21(13-16)30-12-4-11-29-20/h1-3,5-10,13-14,22-23H,4,11-12H2