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

Systemtic Name: methyl 5-ethyl-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(4-tosylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl 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=C(C=C3)C)C(=O)OC

Isomeric SMILES

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

InChI

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