[(2R)-1-[(1-cyanocyclopropyl)amino]-1-oxidanylidene-3-(phenylmethyl)sulfonyl-propan-2-yl] morpholine-4-carboxylate

Systemtic Name: [(2R)-1-[(1-cyanocyclopropyl)amino]-1-oxidanylidene-3-(phenylmethyl)sulfonyl-propan-2-yl] morpholine-4-carboxylate Openeye Name: [(1R)-1-(benzylsulfonylmethyl)-2-[(1-cyanocyclopropyl)amino]-2-oxo-ethyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [(2R)-1-[(1-cyanocyclopropyl)amino]-1-oxo-3-(phenylmethyl)sulfonylpropan-2-yl] ester IUPAC Name: [(2R)-3-benzylsulfonyl-1-[(1-cyanocyclopropyl)amino]-1-oxopropan-2-yl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [(1R)-1-(benzylsulfonylmethyl)-2-[(1-cyanocyclopropyl)amino]-2-keto-ethyl] ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C#N)NC(=O)C(CS(=O)(=O)CC2=CC=CC=C2)OC(=O)N3CCOCC3

Isomeric SMILES

C1CC1(C#N)NC(=O)[C@H](CS(=O)(=O)CC2=CC=CC=C2)OC(=O)N3CCOCC3

InChI

InChI=1S/C19H23N3O6S/c20-14-19(6-7-19)21-17(23)16(28-18(24)22-8-10-27-11-9-22)13-29(25,26)12-15-4-2-1-3-5-15/h1-5,16H,6-13H2,(H,21,23)/t16-/m0/s1