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

Systemtic Name: N-[4-[[(4-bromophenyl)carbonylamino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-[[[(4-bromophenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H18BrN3O6S MolecularWeight: 532.36382

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NNC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NNC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3O6S/c23-16-5-1-14(2-6-16)21(27)24-25-22(28)15-3-7-17(8-4-15)26-33(29,30)18-9-10-19-20(13-18)32-12-11-31-19/h1-10,13,26H,11-12H2,(H,24,27)(H,25,28)