methyl 3-[[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[[1-(4-fluorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[1-(4-fluorophenyl)sulfonylprolyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H19FN2O5S2 MolecularWeight: 462.514363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN2O5S2/c1-29-21(26)19-18(15-5-2-3-7-17(15)30-19)23-20(25)16-6-4-12-24(16)31(27,28)14-10-8-13(22)9-11-14/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,23,25)