[(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 1-methylpyrrole-2-carboxylate Openeye Name: [(1R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [(2R)-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [(1R)-2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC=CN3C

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC=CN3C

InChI

InChI=1S/C19H23N3O5S/c1-15(27-19(24)17-9-6-10-20(17)2)18(23)21-11-13-22(14-12-21)28(25,26)16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3/t15-/m1/s1