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

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(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] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C21H26N2O6S MolecularWeight: 434.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)C3=C(N(C(=C3)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)C3=C(N(C(=C3)C)C)C

InChI

InChI=1S/C21H26N2O6S/c1-14-5-6-17(30(26,27)23-7-9-28-10-8-23)12-18(14)21(25)29-13-20(24)19-11-15(2)22(4)16(19)3/h5-6,11-12H,7-10,13H2,1-4H3