N-[2-[(2-nitrophenyl)amino]ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-[(2-nitrophenyl)amino]ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(2-nitroanilino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(2-nitroanilino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(2-nitroanilino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(2-nitroanilino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H19N3O6S MolecularWeight: 393.41426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCNC3=CC=CC=C3[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCNC3=CC=CC=C3[N+](=O)[O-])OC1

InChI

InChI=1S/C17H19N3O6S/c21-20(22)15-5-2-1-4-14(15)18-8-9-19-27(23,24)13-6-7-16-17(12-13)26-11-3-10-25-16/h1-2,4-7,12,18-19H,3,8-11H2