methyl 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C22H20FNO5S2 MolecularWeight: 461.526303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FNO5S2/c1-29-22(26)21-18(14-19(30-21)15-6-3-2-4-7-15)24-20(25)8-5-13-31(27,28)17-11-9-16(23)10-12-17/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,24,25)