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

Systemtic Name: O4-ethyl O2-[(3-morpholin-4-ylsulfonylphenyl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[(3-morpholinosulfonylphenyl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[[3-(4-morpholinylsulfonyl)phenyl]methyl] ester IUPAC Name: 4-O-ethyl 2-O-[(3-morpholin-4-ylsulfonylphenyl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-(3-morpholinosulfonylbenzyl) ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C21H26N2O7S/c1-4-29-20(24)18-14(2)19(22-15(18)3)21(25)30-13-16-6-5-7-17(12-16)31(26,27)23-8-10-28-11-9-23/h5-7,12,22H,4,8-11,13H2,1-3H3