ethyl 3-methyl-5-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-[4-(3-pyridylsulfonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-(3-pyridinylsulfonyl)-1-piperazinyl]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-[4-(3-pyridylsulfonyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C19H24N4O5S2 MolecularWeight: 452.54766

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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=CN=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O5S2/c1-3-28-19(25)18-14(2)11-17(29-18)21-16(24)13-22-7-9-23(10-8-22)30(26,27)15-5-4-6-20-12-15/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,21,24)