methyl 5-[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-(2-chloro-5-methylsulfanyl-benzoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(2-chloro-5-methylsulfanylbenzoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[2-chloro-5-(methylthio)benzoyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C18H19ClN2O5S3 MolecularWeight: 475.00186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O5S3/c1-26-18(23)12-9-16(28-11-12)29(24,25)21-7-5-20(6-8-21)17(22)14-10-13(27-2)3-4-15(14)19/h3-4,9-11H,5-8H2,1-2H3