(3R)-N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-oxidanyl-piperidine-1-carbothioamide

Systemtic Name: (3R)-N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-oxidanyl-piperidine-1-carbothioamide Openeye Name: (3R)-N-(2-chloro-5-morpholinosulfonyl-phenyl)-3-hydroxy-piperidine-1-carbothioamide CAS Name: (3R)-N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-hydroxy-1-piperidinecarbothioamide IUPAC Name: (3R)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-hydroxypiperidine-1-carbothioamide Traditional Name: (3R)-N-(2-chloro-5-morpholinosulfonyl-phenyl)-3-hydroxy-piperidine-1-carbothioamide Formula: C16H22ClN3O4S2 MolecularWeight: 419.94658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)O

Isomeric SMILES

C1C[C@H](CN(C1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)O

InChI

InChI=1S/C16H22ClN3O4S2/c17-14-4-3-13(26(22,23)20-6-8-24-9-7-20)10-15(14)18-16(25)19-5-1-2-12(21)11-19/h3-4,10,12,21H,1-2,5-9,11H2,(H,18,25)/t12-/m1/s1