[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid (2-keto-2-mesidino-ethyl) ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C20H25N3O6S/c1-13-8-14(2)19(15(3)9-13)22-18(24)12-29-20(25)17-10-16(11-21-17)30(26,27)23-4-6-28-7-5-23/h8-11,21H,4-7,12H2,1-3H3,(H,22,24)