O4-methyl O2-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-methyl O2-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-methyl O2-[2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-[2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: 4-O-methyl 2-O-[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester O4-methyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H26N2O7S/c1-14-19(21(26)30-3)15(2)23-20(14)22(27)31-13-18(25)16-7-9-17(10-8-16)32(28,29)24-11-5-4-6-12-24/h7-10,23H,4-6,11-13H2,1-3H3