methyl 4-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-(4-acetylphenyl)piperazino]sulfonyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CNC(=C3)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CNC(=C3)C(=O)OC

InChI

InChI=1S/C18H21N3O5S/c1-13(22)14-3-5-15(6-4-14)20-7-9-21(10-8-20)27(24,25)16-11-17(19-12-16)18(23)26-2/h3-6,11-12,19H,7-10H2,1-2H3