methyl 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(4-chlorophenyl)sulfonylpiperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C16H17ClN2O6S3 MolecularWeight: 464.96398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H17ClN2O6S3/c1-25-16(20)15-14(6-11-26-15)28(23,24)19-9-7-18(8-10-19)27(21,22)13-4-2-12(17)3-5-13/h2-6,11H,7-10H2,1H3