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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H30N4O5S2 MolecularWeight: 518.6488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)C#N)C

InChI

InChI=1S/C24H30N4O5S2/c1-5-33-24(30)22-17(4)20(14-25)23(34-22)26-21(29)15-27-10-12-28(13-11-27)35(31,32)19-8-6-18(7-9-19)16(2)3/h6-9,16H,5,10-13,15H2,1-4H3,(H,26,29)