N-[(2R)-1-oxidanylidene-1-[(6-oxidanylidenecyclohexen-1-yl)amino]-3-(phenylmethyl)sulfonyl-propan-2-yl]morpholine-4-carboxamide

Systemtic Name: N-[(2R)-1-oxidanylidene-1-[(6-oxidanylidenecyclohexen-1-yl)amino]-3-(phenylmethyl)sulfonyl-propan-2-yl]morpholine-4-carboxamide Openeye Name: N-[(1R)-1-(benzylsulfonylmethyl)-2-oxo-2-[(6-oxocyclohexen-1-yl)amino]ethyl]morpholine-4-carboxamide CAS Name: N-[(2R)-1-oxo-1-[(6-oxo-1-cyclohexenyl)amino]-3-(phenylmethyl)sulfonylpropan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[(2R)-3-benzylsulfonyl-1-oxo-1-[(6-oxocyclohexen-1-yl)amino]propan-2-yl]morpholine-4-carboxamide Traditional Name: N-[(1R)-1-(benzylsulfonylmethyl)-2-keto-2-[(6-ketocyclohexen-1-yl)amino]ethyl]morpholine-4-carboxamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(=O)C1)NC(=O)C(CS(=O)(=O)CC2=CC=CC=C2)NC(=O)N3CCOCC3

Isomeric SMILES

C1CC=C(C(=O)C1)NC(=O)[C@H](CS(=O)(=O)CC2=CC=CC=C2)NC(=O)N3CCOCC3

InChI

InChI=1S/C21H27N3O6S/c25-19-9-5-4-8-17(19)22-20(26)18(23-21(27)24-10-12-30-13-11-24)15-31(28,29)14-16-6-2-1-3-7-16/h1-3,6-8,18H,4-5,9-15H2,(H,22,26)(H,23,27)/t18-/m0/s1