ethyl 2,4-dimethyl-5-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(4-besylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H25N3O5S/c1-4-28-20(25)17-14(2)18(21-15(17)3)19(24)22-10-12-23(13-11-22)29(26,27)16-8-6-5-7-9-16/h5-9,21H,4,10-13H2,1-3H3