(3-morpholin-4-ylsulfonylphenyl)methyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C20H26N2O5S/c1-4-22-15(2)12-19(16(22)3)20(23)27-14-17-6-5-7-18(13-17)28(24,25)21-8-10-26-11-9-21/h5-7,12-13H,4,8-11,14H2,1-3H3