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

Systemtic Name: N-[4-oxidanylidene-4-(2-thiophen-2-ylcarbonylhydrazinyl)butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-oxo-4-[2-(thiophene-2-carbonyl)hydrazino]butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-oxo-4-[[oxo(thiophen-2-yl)methyl]hydrazo]butyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-oxo-4-[2-(thiophene-2-carbonyl)hydrazinyl]butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-keto-4-[N'-(2-thenoyl)hydrazino]butyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)NNC(=O)C3=CC=CS3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)NNC(=O)C3=CC=CS3)OC1

InChI

InChI=1S/C18H21N3O6S2/c22-17(20-21-18(23)16-4-2-11-28-16)5-1-8-19-29(24,25)13-6-7-14-15(12-13)27-10-3-9-26-14/h2,4,6-7,11-12,19H,1,3,5,8-10H2,(H,20,22)(H,21,23)