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

Systemtic Name: 4-[3-[4-(2-methylsulfonylphenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid Openeye Name: 4-[3-[4-(2-methylsulfonylphenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid CAS Name: 4-[[3-[4-(2-methylsulfonylphenyl)phenyl]-1-oxopropyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-[3-[4-(2-methylsulfonylphenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid Traditional Name: 4-[3-[4-(2-mesylphenyl)phenyl]propanoylamino]-3-thenoic acid Formula: C21H19NO5S2 MolecularWeight: 429.50926

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)CCC(=O)NC3=CSC=C3C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)CCC(=O)NC3=CSC=C3C(=O)O

InChI

InChI=1S/C21H19NO5S2/c1-29(26,27)19-5-3-2-4-16(19)15-9-6-14(7-10-15)8-11-20(23)22-18-13-28-12-17(18)21(24)25/h2-7,9-10,12-13H,8,11H2,1H3,(H,22,23)(H,24,25)