methyl 4-cyano-3-methyl-5-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-methyl-5-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[[2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(4-p-cumenylsulfonylpiperazino)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C23H28N4O5S2 MolecularWeight: 504.62222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)C(=O)OC

InChI

InChI=1S/C23H28N4O5S2/c1-15(2)17-5-7-18(8-6-17)34(30,31)27-11-9-26(10-12-27)14-20(28)25-22-19(13-24)16(3)21(33-22)23(29)32-4/h5-8,15H,9-12,14H2,1-4H3,(H,25,28)