[(2S)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1H-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1H-pyrrole-2-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [(2S)-1-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC=CN2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H23N3O6S/c1-13-5-6-15(12-17(13)29(25,26)22-8-10-27-11-9-22)21-18(23)14(2)28-19(24)16-4-3-7-20-16/h3-7,12,14,20H,8-11H2,1-2H3,(H,21,23)/t14-/m0/s1