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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S/c21-20(22)14-4-2-13(3-5-14)18-8-9-19-27(23,24)15-6-7-16-17(12-15)26-11-1-10-25-16/h2-7,12,18-19H,1,8-11H2