[(2S)-1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [(1S)-1-methyl-2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [(2S)-1-[3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)O[C@@H](C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H27N3O7S/c1-13-19(15(3)26)14(2)23-20(13)22(28)32-16(4)21(27)24-17-6-5-7-18(12-17)33(29,30)25-8-10-31-11-9-25/h5-7,12,16,23H,8-11H2,1-4H3,(H,24,27)/t16-/m0/s1