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

Systemtic Name: methyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H24ClN3O5S2 MolecularWeight: 486.00466

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O5S2/c1-3-15-12-17(20(26)29-2)19(30-15)22-18(25)13-23-8-10-24(11-9-23)31(27,28)16-6-4-14(21)5-7-16/h4-7,12H,3,8-11,13H2,1-2H3,(H,22,25)