(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(1S)-1-(hydroxymethyl)-3-methylsulfanyl-propyl]piperidine-3-carboxamide CAS Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-hydroxy-4-(methylthio)butan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-[(1S)-1-methylol-3-(methylthio)propyl]-1-piazthiol-4-ylsulfonyl-nipecotamide Formula: C17H24N4O4S3 MolecularWeight: 444.59186

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CO)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CSCC[C@@H](CO)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C17H24N4O4S3/c1-26-9-7-13(11-22)18-17(23)12-4-3-8-21(10-12)28(24,25)15-6-2-5-14-16(15)20-27-19-14/h2,5-6,12-13,22H,3-4,7-11H2,1H3,(H,18,23)/t12-,13-/m0/s1