methyl 3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-(4-piperidinosulfonylphenyl)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H24N2O5S2/c1-27-20(24)19-17(11-14-28-19)21-18(23)10-7-15-5-8-16(9-6-15)29(25,26)22-12-3-2-4-13-22/h5-6,8-9,11,14H,2-4,7,10,12-13H2,1H3,(H,21,23)