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

Systemtic Name: N-[3-[2-(4-methoxyphenyl)carbonylhydrazinyl]-3-oxidanylidene-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-[2-(4-methoxybenzoyl)hydrazino]-3-oxo-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-[[(4-methoxyphenyl)-oxomethyl]hydrazo]-3-oxopropyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-[2-(4-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-keto-3-(N'-p-anisoylhydrazino)propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NNC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NNC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H23N3O7S/c1-28-15-5-3-14(4-6-15)20(25)23-22-19(24)9-10-21-31(26,27)16-7-8-17-18(13-16)30-12-2-11-29-17/h3-8,13,21H,2,9-12H2,1H3,(H,22,24)(H,23,25)