[2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-keto-2-(4-mesitylsulfonylpiperazino)ethyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=CN3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=CN3)C

InChI

InChI=1S/C20H25N3O5S/c1-14-11-15(2)19(16(3)12-14)29(26,27)23-9-7-22(8-10-23)18(24)13-28-20(25)17-5-4-6-21-17/h4-6,11-12,21H,7-10,13H2,1-3H3