methyl 5-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[3-(2-chlorophenyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[3-(2-chlorophenyl)propanoyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C19H21ClN2O5S2/c1-27-19(24)15-12-18(28-13-15)29(25,26)22-10-8-21(9-11-22)17(23)7-6-14-4-2-3-5-16(14)20/h2-5,12-13H,6-11H2,1H3