N-[2-[2-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]hydrazinyl]-2-oxidanylidene-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-[2-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]hydrazinyl]-2-oxidanylidene-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazino]-2-oxo-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazo]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-[N'-(4-bromo-1H-pyrrole-2-carbonyl)hydrazino]-2-keto-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H19BrN4O6S MolecularWeight: 487.32496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NNC(=O)C1=CC(=CN1)Br)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC(=O)NNC(=O)C1=CC(=CN1)Br)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H19BrN4O6S/c1-22(10-16(23)20-21-17(24)13-7-11(18)9-19-13)29(25,26)12-3-4-14-15(8-12)28-6-2-5-27-14/h3-4,7-9,19H,2,5-6,10H2,1H3,(H,20,23)(H,21,24)