methyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(2,5-dimethylphenyl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

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