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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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