N-[3-[2-(2-methylphenyl)carbonylhydrazinyl]-3-oxidanylidene-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-[2-(2-methylphenyl)carbonylhydrazinyl]-3-oxidanylidene-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-[2-(2-methylbenzoyl)hydrazino]-3-oxo-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-[[(2-methylphenyl)-oxomethyl]hydrazo]-3-oxopropyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-keto-3-(N'-o-toluoylhydrazino)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H21N3O6S/c1-13-4-2-3-5-15(13)19(24)22-21-18(23)8-9-20-29(25,26)14-6-7-16-17(12-14)28-11-10-27-16/h2-7,12,20H,8-11H2,1H3,(H,21,23)(H,22,24)