(2S)-N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-methyl-piperidine-1-carbothioamide

Systemtic Name: (2S)-N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-methyl-piperidine-1-carbothioamide Openeye Name: (2S)-N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-methyl-piperidine-1-carbothioamide CAS Name: (2S)-N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-2-methyl-1-piperidinecarbothioamide IUPAC Name: (2S)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-methylpiperidine-1-carbothioamide Traditional Name: (2S)-N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-methyl-piperidine-1-carbothioamide Formula: C17H24ClN3O3S2 MolecularWeight: 417.97376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

C[C@H]1CCCCN1C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C17H24ClN3O3S2/c1-13-4-2-3-7-21(13)17(25)19-16-12-14(5-6-15(16)18)26(22,23)20-8-10-24-11-9-20/h5-6,12-13H,2-4,7-11H2,1H3,(H,19,25)/t13-/m0/s1