4-methyl-3-[(3-methylsulfonylphenyl)carbonylamino]benzoic acid

Systemtic Name: 4-methyl-3-[(3-methylsulfonylphenyl)carbonylamino]benzoic acid Openeye Name: 4-methyl-3-[(3-methylsulfonylbenzoyl)amino]benzoic acid CAS Name: 4-methyl-3-[[(3-methylsulfonylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(3-methylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-[(3-mesylbenzoyl)amino]-4-methyl-benzoic acid Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C16H15NO5S/c1-10-6-7-12(16(19)20)9-14(10)17-15(18)11-4-3-5-13(8-11)23(2,21)22/h3-9H,1-2H3,(H,17,18)(H,19,20)