[(2R)-1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1H-pyrrole-2-carboxylate

Systemtic Name: [(2R)-1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1H-pyrrole-2-carboxylate Openeye Name: [(1R)-1-methyl-2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [(2R)-1-[4-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CC=CN3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CC=CN3

InChI

InChI=1S/C18H21N3O6S/c1-13(27-18(23)16-3-2-8-19-16)17(22)20-14-4-6-15(7-5-14)28(24,25)21-9-11-26-12-10-21/h2-8,13,19H,9-12H2,1H3,(H,20,22)/t13-/m1/s1