N-[2-[2-(2,4-dimethylphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-[2-(2,4-dimethylphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-[2-(2,4-dimethylbenzoyl)hydrazino]-2-oxo-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-[[(2,4-dimethylphenyl)-oxomethyl]hydrazo]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-[2-(2,4-dimethylbenzoyl)hydrazinyl]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-[N'-(2,4-dimethylbenzoyl)hydrazino]-2-keto-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NNC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NNC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C21H25N3O6S/c1-14-5-7-17(15(2)11-14)21(26)23-22-20(25)13-24(3)31(27,28)16-6-8-18-19(12-16)30-10-4-9-29-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,22,25)(H,23,26)