methyl 5-[4-[5-(4-fluorophenyl)thiophen-2-yl]carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[5-(4-fluorophenyl)thiophen-2-yl]carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[5-(4-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[[5-(4-fluorophenyl)-2-thiophenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[5-(4-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[5-(4-fluorophenyl)thiophene-2-carbonyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C21H19FN2O5S3 MolecularWeight: 494.579363

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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(S3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN2O5S3/c1-29-21(26)15-12-19(30-13-15)32(27,28)24-10-8-23(9-11-24)20(25)18-7-6-17(31-18)14-2-4-16(22)5-3-14/h2-7,12-13H,8-11H2,1H3