methyl 3-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[[4-(3-ethoxypropylcarbamoyl)-1-piperidyl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[4-[(3-ethoxypropylamino)-oxomethyl]-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(3-ethoxypropylcarbamoyl)piperidino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C17H26N2O6S2 MolecularWeight: 418.52814

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)OC

Isomeric SMILES

CCOCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C17H26N2O6S2/c1-3-25-11-4-8-18-16(20)13-5-9-19(10-6-13)27(22,23)14-7-12-26-15(14)17(21)24-2/h7,12-13H,3-6,8-11H2,1-2H3,(H,18,20)