methyl 5-[4-[3-(4-methylphenyl)thiophen-2-yl]carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[3-(4-methylphenyl)thiophen-2-yl]carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[3-(p-tolyl)thiophene-2-carbonyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[[3-(4-methylphenyl)-2-thiophenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[3-(4-methylphenyl)thiophene-2-carbonyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[3-(p-tolyl)thiophene-2-carbonyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C22H22N2O5S3 MolecularWeight: 490.61548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CS4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CS4)C(=O)OC

InChI

InChI=1S/C22H22N2O5S3/c1-15-3-5-16(6-4-15)18-7-12-30-20(18)21(25)23-8-10-24(11-9-23)32(27,28)19-13-17(14-31-19)22(26)29-2/h3-7,12-14H,8-11H2,1-2H3