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

Systemtic Name: methyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-phenyl-thiophene-2-carboxylate CAS Name: 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-4-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-phenylthiophene-2-carboxylate Traditional Name: 3-[4-(2,5-dimethylphenyl)piperazino]sulfonyl-4-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C24H26N2O4S2 MolecularWeight: 470.60424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H26N2O4S2/c1-17-9-10-18(2)21(15-17)25-11-13-26(14-12-25)32(28,29)23-20(19-7-5-4-6-8-19)16-31-22(23)24(27)30-3/h4-10,15-16H,11-14H2,1-3H3