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

Systemtic Name: ethyl 5-ethyl-2-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-besylpiperazino)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S2/c1-3-16-14-18(21(26)29-4-2)20(30-16)22-19(25)15-23-10-12-24(13-11-23)31(27,28)17-8-6-5-7-9-17/h5-9,14H,3-4,10-13,15H2,1-2H3,(H,22,25)