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

Systemtic Name: O4-ethyl O2-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl 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-ethyl ester O2-[2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: 4-O-ethyl 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 O4-ethyl ester O2-[2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C23H28N2O7S/c1-4-31-22(27)20-15(2)21(24-16(20)3)23(28)32-14-19(26)17-8-10-18(11-9-17)33(29,30)25-12-6-5-7-13-25/h8-11,24H,4-7,12-14H2,1-3H3