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

Systemtic Name: ethyl 5-(4-chlorophenyl)-3-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]-5-(4-chlorophenyl)thiophene-2-carboxylate CAS Name: 3-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxoethyl]amino]-5-(4-chlorophenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]-5-(4-chlorophenyl)thiophene-2-carboxylate Traditional Name: 3-[[2-(4-besylpiperazino)acetyl]amino]-5-(4-chlorophenyl)thiophene-2-carboxylic acid ethyl ester Formula: C25H26ClN3O5S2 MolecularWeight: 548.07404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26ClN3O5S2/c1-2-34-25(31)24-21(16-22(35-24)18-8-10-19(26)11-9-18)27-23(30)17-28-12-14-29(15-13-28)36(32,33)20-6-4-3-5-7-20/h3-11,16H,2,12-15,17H2,1H3,(H,27,30)