O4-ethyl O2-[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: 4-O-ethyl 2-O-[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[2-keto-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C22H27N3O8S MolecularWeight: 493.53008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C22H27N3O8S/c1-4-32-21(27)19-14(2)20(23-15(19)3)22(28)33-13-18(26)24-16-6-5-7-17(12-16)34(29,30)25-8-10-31-11-9-25/h5-7,12,23H,4,8-11,13H2,1-3H3,(H,24,26)