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

Systemtic Name: methyl 4-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxylate Traditional Name: 3-(4-phenylpiperazino)sulfonyl-4-(p-tolyl)thiophene-2-carboxylic acid methyl ester Formula: C23H24N2O4S2 MolecularWeight: 456.57766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H24N2O4S2/c1-17-8-10-18(11-9-17)20-16-30-21(23(26)29-2)22(20)31(27,28)25-14-12-24(13-15-25)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3