ethyl 2-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[3-[(4-acetyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-acetylpiperazino)sulfonylbenzoyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C)C(=O)OCC

InChI

InChI=1S/C22H27N3O6S2/c1-4-17-14-19(22(28)31-5-2)21(32-17)23-20(27)16-7-6-8-18(13-16)33(29,30)25-11-9-24(10-12-25)15(3)26/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,23,27)