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

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-2-[[2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[1-oxo-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[2-(4-p-cumenylsulfonylpiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C25H35N3O5S2 MolecularWeight: 521.6925

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)C

InChI

InChI=1S/C25H35N3O5S2/c1-6-21-18(5)34-24(23(21)25(30)33-7-2)26-22(29)16-27-12-14-28(15-13-27)35(31,32)20-10-8-19(9-11-20)17(3)4/h8-11,17H,6-7,12-16H2,1-5H3,(H,26,29)