3-[(4-methylphenyl)sulfonyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]benzoate

Systemtic Name: 3-[(4-methylphenyl)sulfonyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]benzoate Openeye Name: 3-[(2-oxido-2-oxo-ethyl)-(p-tolylsulfonyl)amino]benzoate CAS Name: 3-[(4-methylphenyl)sulfonyl-(2-oxido-2-oxoethyl)amino]benzoate IUPAC Name: 3-[(4-methylphenyl)sulfonyl-(2-oxido-2-oxoethyl)amino]benzoate Traditional Name: 3-[(2-keto-2-oxido-ethyl)-tosyl-amino]benzoate Formula: C16H13NO6S-2 MolecularWeight: 347.34252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)[O-])C2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)[O-])C2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H15NO6S/c1-11-5-7-14(8-6-11)24(22,23)17(10-15(18)19)13-4-2-3-12(9-13)16(20)21/h2-9H,10H2,1H3,(H,18,19)(H,20,21)/p-2