ethyl 4-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylate Openeye Name: ethyl 3-(4-phenylpiperazin-1-yl)sulfonyl-4-(p-tolyl)thiophene-2-carboxylate CAS Name: 4-(4-methylphenyl)-3-[(4-phenyl-1-piperazinyl)sulfonyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxylate Traditional Name: 3-(4-phenylpiperazino)sulfonyl-4-(p-tolyl)thiophene-2-carboxylic acid ethyl ester Formula: C24H26N2O4S2 MolecularWeight: 470.60424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CS1)C2=CC=C(C=C2)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=CS1)C2=CC=C(C=C2)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

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