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

Systemtic Name: ethyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazino]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26ClN3O5S2 MolecularWeight: 500.03124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C21H26ClN3O5S2/c1-3-16-13-18(21(27)30-4-2)20(31-16)23-19(26)14-24-9-11-25(12-10-24)32(28,29)17-7-5-15(22)6-8-17/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,23,26)