[(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-methoxy-5-morpholinosulfonyl-benzoate CAS Name: 2-methoxy-5-(4-morpholinylsulfonyl)benzoic acid [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-methoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methoxy-5-morpholinosulfonyl-benzoic acid [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O8S MolecularWeight: 492.54202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC

InChI

InChI=1S/C23H28N2O8S/c1-13-20(15(3)26)14(2)24-21(13)22(27)16(4)33-23(28)18-12-17(6-7-19(18)31-5)34(29,30)25-8-10-32-11-9-25/h6-7,12,16,24H,8-11H2,1-5H3/t16-/m1/s1