methyl 5-[4-[5-(2-chlorophenyl)furan-2-yl]carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[5-(2-chlorophenyl)furan-2-yl]carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[[5-(2-chlorophenyl)-2-furanyl]-oxomethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[5-(2-chlorophenyl)-2-furoyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C21H19ClN2O6S2 MolecularWeight: 494.96836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(O3)C4=CC=CC=C4Cl

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(O3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H19ClN2O6S2/c1-29-21(26)14-12-19(31-13-14)32(27,28)24-10-8-23(9-11-24)20(25)18-7-6-17(30-18)15-4-2-3-5-16(15)22/h2-7,12-13H,8-11H2,1H3