[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H24N2O6S/c1-14-11-18(15(2)21(14)3)19(23)13-28-20(24)16-5-4-6-17(12-16)29(25,26)22-7-9-27-10-8-22/h4-6,11-12H,7-10,13H2,1-3H3