N-(4-morpholin-4-yl-3-nitro-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(4-morpholin-4-yl-3-nitro-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(4-morpholino-3-nitro-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-(4-morpholinyl)-3-nitrophenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(4-morpholin-4-yl-3-nitrophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(4-morpholino-3-nitro-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H21N3O7S MolecularWeight: 435.45094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])OC1

InChI

InChI=1S/C19H21N3O7S/c23-22(24)17-12-14(2-4-16(17)21-6-10-27-11-7-21)20-30(25,26)15-3-5-18-19(13-15)29-9-1-8-28-18/h2-5,12-13,20H,1,6-11H2