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

Systemtic Name: N-[4-oxidanylidene-4-(2-pyrazin-2-ylcarbonylhydrazinyl)butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-oxo-4-[2-(pyrazine-2-carbonyl)hydrazino]butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-oxo-4-[[oxo(2-pyrazinyl)methyl]hydrazo]butyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-oxo-4-[2-(pyrazine-2-carbonyl)hydrazinyl]butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-keto-4-(N'-pyrazinoylhydrazino)butyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H21N5O6S MolecularWeight: 435.45424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O6S/c24-17(22-23-18(25)14-12-19-7-8-20-14)3-1-6-21-30(26,27)13-4-5-15-16(11-13)29-10-2-9-28-15/h4-5,7-8,11-12,21H,1-3,6,9-10H2,(H,22,24)(H,23,25)