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

Systemtic Name: methyl 3-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[3-methyl-4-(p-tolyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[3-methyl-4-(p-tolyl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C18H22N2O4S2/c1-13-4-6-15(7-5-13)20-10-9-19(12-14(20)2)26(22,23)16-8-11-25-17(16)18(21)24-3/h4-8,11,14H,9-10,12H2,1-3H3