N-[1-[2-(2,4-dimethylphenyl)carbonylhydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[1-[2-(2,4-dimethylphenyl)carbonylhydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[1-[[(2,4-dimethylbenzoyl)amino]carbamoyl]-3-methylsulfanyl-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[1-[[(2,4-dimethylphenyl)-oxomethyl]hydrazo]-4-(methylthio)-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[1-[2-(2,4-dimethylbenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[1-[[(2,4-dimethylbenzoyl)amino]carbamoyl]-3-(methylthio)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NNC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NNC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C22H27N3O6S2/c1-14-4-6-17(15(2)12-14)21(26)23-24-22(27)18(8-11-32-3)25-33(28,29)16-5-7-19-20(13-16)31-10-9-30-19/h4-7,12-13,18,25H,8-11H2,1-3H3,(H,23,26)(H,24,27)