6-[(2-methylsulfonylphenyl)carbonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: 6-[(2-methylsulfonylphenyl)carbonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 6-[(2-methylsulfonylbenzoyl)amino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-[[(2-methylsulfonylphenyl)-oxomethyl]amino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate IUPAC Name: 6-[(2-methylsulfonylbenzoyl)amino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-[(2-mesylbenzoyl)amino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate Formula: C17H14NO7S- MolecularWeight: 376.36056

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCO3

InChI

InChI=1S/C17H15NO7S/c1-26(22,23)15-5-3-2-4-10(15)16(19)18-12-9-14-13(24-6-7-25-14)8-11(12)17(20)21/h2-5,8-9H,6-7H2,1H3,(H,18,19)(H,20,21)/p-1