2-[3-[4-(3-methylsulfonylphenyl)phenyl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[4-(3-methylsulfonylphenyl)phenyl]propanoylamino]benzoic acid Openeye Name: 2-[3-[4-(3-methylsulfonylphenyl)phenyl]propanoylamino]benzoic acid CAS Name: 2-[[3-[4-(3-methylsulfonylphenyl)phenyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-[4-(3-methylsulfonylphenyl)phenyl]propanoylamino]benzoic acid Traditional Name: 2-[3-[4-(3-mesylphenyl)phenyl]propanoylamino]benzoic acid Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H21NO5S/c1-30(28,29)19-6-4-5-18(15-19)17-12-9-16(10-13-17)11-14-22(25)24-21-8-3-2-7-20(21)23(26)27/h2-10,12-13,15H,11,14H2,1H3,(H,24,25)(H,26,27)