N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H19N3O7S MolecularWeight: 409.41366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O7S/c21-7-6-18-14-4-2-12(20(22)23)10-15(14)19-28(24,25)13-3-5-16-17(11-13)27-9-1-8-26-16/h2-5,10-11,18-19,21H,1,6-9H2