methyl 3-(4-aminocarbonyl-4-piperidin-1-yl-piperidin-1-yl)sulfonyl-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(4-aminocarbonyl-4-piperidin-1-yl-piperidin-1-yl)sulfonyl-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[4-carbamoyl-4-(1-piperidyl)-1-piperidyl]sulfonyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[4-carbamoyl-4-(1-piperidinyl)-1-piperidinyl]sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-(4-carbamoyl-4-piperidino-piperidino)sulfonyl-4-fluoro-benzothiophene-2-carboxylic acid methyl ester Formula: C21H26FN3O5S2 MolecularWeight: 483.576643

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CCC(CC3)(C(=O)N)N4CCCCC4

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CCC(CC3)(C(=O)N)N4CCCCC4

InChI

InChI=1S/C21H26FN3O5S2/c1-30-19(26)17-18(16-14(22)6-5-7-15(16)31-17)32(28,29)25-12-8-21(9-13-25,20(23)27)24-10-3-2-4-11-24/h5-7H,2-4,8-13H2,1H3,(H2,23,27)