4-[4-chloranyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-phenyl]carbonylpiperazin-2-one

Systemtic Name: 4-[4-chloranyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-phenyl]carbonylpiperazin-2-one Openeye Name: 4-[4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzoyl]piperazin-2-one CAS Name: 4-[[4-chloro-3-[[(2R,6R)-2,6-dimethyl-4-morpholinyl]sulfonyl]phenyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]piperazin-2-one Traditional Name: 4-[4-chloro-3-[(2R,6R)-2,6-dimethylmorpholino]sulfonyl-benzoyl]piperazin-2-one Formula: C17H22ClN3O5S MolecularWeight: 415.89168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCNC(=O)C3)Cl

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCNC(=O)C3)Cl

InChI

InChI=1S/C17H22ClN3O5S/c1-11-8-21(9-12(2)26-11)27(24,25)15-7-13(3-4-14(15)18)17(23)20-6-5-19-16(22)10-20/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,19,22)/t11-,12-/m1/s1