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

Systemtic Name: methyl 3-[4-(2-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(o-tolyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(o-tolyl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C17H20N2O4S2/c1-13-5-3-4-6-14(13)18-8-10-19(11-9-18)25(21,22)15-7-12-24-16(15)17(20)23-2/h3-7,12H,8-11H2,1-2H3