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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=CN3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=CN3

InChI

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