ethyl 5-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: ethyl 5-(4-benzoyl-2-methyl-piperazin-1-yl)sulfonylthiophene-2-carboxylate CAS Name: 5-[(4-benzoyl-2-methyl-1-piperazinyl)sulfonyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylate Traditional Name: 5-(4-benzoyl-2-methyl-piperazino)sulfonylthiophene-2-carboxylic acid ethyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(S1)S(=O)(=O)N2CCN(CC2C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(S1)S(=O)(=O)N2CCN(CC2C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O5S2/c1-3-26-19(23)16-9-10-17(27-16)28(24,25)21-12-11-20(13-14(21)2)18(22)15-7-5-4-6-8-15/h4-10,14H,3,11-13H2,1-2H3