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

Systemtic Name: N-[4-[2-(3,4-dimethoxyphenyl)carbonylhydrazinyl]-4-oxidanylidene-butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-[2-(3,4-dimethoxybenzoyl)hydrazino]-4-oxo-butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-4-oxobutyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-4-oxobutyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-keto-4-(N'-veratroylhydrazino)butyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H27N3O8S MolecularWeight: 493.53008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)OC

InChI

InChI=1S/C22H27N3O8S/c1-30-17-8-6-15(13-19(17)31-2)22(27)25-24-21(26)5-3-10-23-34(28,29)16-7-9-18-20(14-16)33-12-4-11-32-18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,24,26)(H,25,27)