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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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