N-[4-[[(2-methylphenyl)carbonylamino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[4-[[(2-methylphenyl)carbonylamino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-[[[(2-methylphenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-[(o-toluoylamino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H21N3O6S/c1-15-4-2-3-5-19(15)23(28)25-24-22(27)16-6-8-17(9-7-16)26-33(29,30)18-10-11-20-21(14-18)32-13-12-31-20/h2-11,14,26H,12-13H2,1H3,(H,24,27)(H,25,28)