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

Systemtic Name: O2-[(3-morpholin-4-ylsulfonylphenyl)methyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-isopropyl O2-[(3-morpholinosulfonylphenyl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[[3-(4-morpholinylsulfonyl)phenyl]methyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[(3-morpholin-4-ylsulfonylphenyl)methyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-isopropyl ester O2-(3-morpholinosulfonylbenzyl) ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H28N2O7S/c1-14(2)31-21(25)19-15(3)20(23-16(19)4)22(26)30-13-17-6-5-7-18(12-17)32(27,28)24-8-10-29-11-9-24/h5-7,12,14,23H,8-11,13H2,1-4H3