N-[3-chloranyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[3-chloranyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[3-chloro-4-[[(3-methylsulfonylphenyl)-oxomethyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[3-chloro-4-[(3-mesylbenzoyl)amino]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C23H19ClN2O6S MolecularWeight: 486.92476

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C23H19ClN2O6S/c1-33(29,30)17-4-2-3-14(11-17)23(28)26-19-7-6-16(13-18(19)24)25-22(27)15-5-8-20-21(12-15)32-10-9-31-20/h2-8,11-13H,9-10H2,1H3,(H,25,27)(H,26,28)