methyl 5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[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=CC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

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