methyl 5-[4-[4-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[4-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[[4-[(methylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[4-[(methylthio)methyl]benzoyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C19H22N2O5S3 MolecularWeight: 454.58338

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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(C=C3)CSC

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S3/c1-26-19(23)16-11-17(28-13-16)29(24,25)21-9-7-20(8-10-21)18(22)15-5-3-14(4-6-15)12-27-2/h3-6,11,13H,7-10,12H2,1-2H3