N-[4-oxidanylidene-4-(2-pyridin-3-ylcarbonylhydrazinyl)butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[4-oxidanylidene-4-(2-pyridin-3-ylcarbonylhydrazinyl)butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-oxo-4-[2-(pyridine-3-carbonyl)hydrazino]butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-oxo-4-[[oxo(3-pyridinyl)methyl]hydrazo]butyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-keto-4-(N'-nicotinoylhydrazino)butyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H22N4O6S MolecularWeight: 434.46618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)NNC(=O)C3=CN=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)NNC(=O)C3=CN=CC=C3)OC1

InChI

InChI=1S/C19H22N4O6S/c24-18(22-23-19(25)14-4-1-8-20-13-14)5-2-9-21-30(26,27)15-6-7-16-17(12-15)29-11-3-10-28-16/h1,4,6-8,12-13,21H,2-3,5,9-11H2,(H,22,24)(H,23,25)