6-[(2-methylsulfonylphenyl)carbonylamino]-1,3-benzodioxole-5-carboxylate

Systemtic Name: 6-[(2-methylsulfonylphenyl)carbonylamino]-1,3-benzodioxole-5-carboxylate Openeye Name: 6-[(2-methylsulfonylbenzoyl)amino]-1,3-benzodioxole-5-carboxylate CAS Name: 6-[[(2-methylsulfonylphenyl)-oxomethyl]amino]-1,3-benzodioxole-5-carboxylate IUPAC Name: 6-[(2-methylsulfonylbenzoyl)amino]-1,3-benzodioxole-5-carboxylate Traditional Name: 6-[(2-mesylbenzoyl)amino]-piperonylate Formula: C16H12NO7S- MolecularWeight: 362.33398

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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-])OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC3=C(C=C2C(=O)[O-])OCO3

InChI

InChI=1S/C16H13NO7S/c1-25(21,22)14-5-3-2-4-9(14)15(18)17-11-7-13-12(23-8-24-13)6-10(11)16(19)20/h2-7H,8H2,1H3,(H,17,18)(H,19,20)/p-1