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

Systemtic Name: methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[1-(4-fluorophenyl)sulfonylisonipecotoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H21FN2O5S2 MolecularWeight: 476.540943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN2O5S2/c1-30-22(27)20-19(17-4-2-3-5-18(17)31-20)24-21(26)14-10-12-25(13-11-14)32(28,29)16-8-6-15(23)7-9-16/h2-9,14H,10-13H2,1H3,(H,24,26)