(3S)-N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide

Systemtic Name: (3S)-N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide Openeye Name: (3S)-N-(2-chloro-5-morpholinosulfonyl-phenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide CAS Name: (3S)-N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-(hydroxymethyl)-1-piperidinecarbothioamide IUPAC Name: (3S)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide Traditional Name: (3S)-N-(2-chloro-5-morpholinosulfonyl-phenyl)-3-methylol-piperidine-1-carbothioamide Formula: C17H24ClN3O4S2 MolecularWeight: 433.97316

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O4S2/c18-15-4-3-14(27(23,24)21-6-8-25-9-7-21)10-16(15)19-17(26)20-5-1-2-13(11-20)12-22/h3-4,10,13,22H,1-2,5-9,11-12H2,(H,19,26)/t13-/m0/s1