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

Systemtic Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]piperidine-3-carboxamide CAS Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-[(1S)-2-methyl-1-methylol-propyl]-1-piazthiol-4-ylsulfonyl-nipecotamide Formula: C17H24N4O4S2 MolecularWeight: 412.52686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O4S2/c1-11(2)14(10-22)18-17(23)12-5-4-8-21(9-12)27(24,25)15-7-3-6-13-16(15)20-26-19-13/h3,6-7,11-12,14,22H,4-5,8-10H2,1-2H3,(H,18,23)/t12-,14+/m0/s1