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

Systemtic Name: methyl 5-[4-(2-methylphenyl)carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-(2-methylbenzoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(2-methylbenzoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-(4-o-toluoylpiperazino)sulfonylthiophene-3-carboxylic acid methyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

InChI

InChI=1S/C18H20N2O5S2/c1-13-5-3-4-6-15(13)17(21)19-7-9-20(10-8-19)27(23,24)16-11-14(12-26-16)18(22)25-2/h3-6,11-12H,7-10H2,1-2H3