[2-oxidanylidene-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-keto-2-(4-p-cumenylsulfonylpiperazino)ethyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-15(2)16-5-7-17(8-6-16)29(26,27)23-12-10-22(11-13-23)19(24)14-28-20(25)18-4-3-9-21-18/h3-9,15,21H,10-14H2,1-2H3