3-methyl-4-[[3-(methylsulfonylmethyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[3-(methylsulfonylmethyl)phenyl]carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[[3-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoic acid Traditional Name: 4-[[3-(mesylmethyl)benzoyl]amino]-3-methyl-benzoic acid Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5S/c1-11-8-14(17(20)21)6-7-15(11)18-16(19)13-5-3-4-12(9-13)10-24(2,22)23/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)