methyl 5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]thiophene-2-carboxylate CAS Name: 5-[[1-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]thiophene-2-carboxylate Traditional Name: 5-[3-(4-pyrrolidinosulfonylphenyl)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H22N2O5S2/c1-26-19(23)16-9-11-18(27-16)20-17(22)10-6-14-4-7-15(8-5-14)28(24,25)21-12-2-3-13-21/h4-5,7-9,11H,2-3,6,10,12-13H2,1H3,(H,20,22)