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

Systemtic Name: [(2R)-1-[(4-cyanooxan-4-yl)amino]-1-oxidanylidene-3-(phenylmethyl)sulfonyl-propan-2-yl] morpholine-4-carboxylate Openeye Name: [(1R)-1-(benzylsulfonylmethyl)-2-[(4-cyanotetrahydropyran-4-yl)amino]-2-oxo-ethyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [(2R)-1-[(4-cyano-4-oxanyl)amino]-1-oxo-3-(phenylmethyl)sulfonylpropan-2-yl] ester IUPAC Name: [(2R)-3-benzylsulfonyl-1-[(4-cyanooxan-4-yl)amino]-1-oxopropan-2-yl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [(1R)-1-(benzylsulfonylmethyl)-2-[(4-cyanotetrahydropyran-4-yl)amino]-2-keto-ethyl] ester Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C#N)NC(=O)C(CS(=O)(=O)CC2=CC=CC=C2)OC(=O)N3CCOCC3

Isomeric SMILES

C1COCCC1(C#N)NC(=O)[C@H](CS(=O)(=O)CC2=CC=CC=C2)OC(=O)N3CCOCC3

InChI

InChI=1S/C21H27N3O7S/c22-16-21(6-10-29-11-7-21)23-19(25)18(31-20(26)24-8-12-30-13-9-24)15-32(27,28)14-17-4-2-1-3-5-17/h1-5,18H,6-15H2,(H,23,25)/t18-/m0/s1