(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-methylpropyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-methylpropyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-isobutyl-piperidine-3-carboxamide CAS Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-methylpropyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-methylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-N-isobutyl-1-piazthiol-4-ylsulfonyl-nipecotamide Formula: C16H22N4O3S2 MolecularWeight: 382.50088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3S2/c1-11(2)9-17-16(21)12-5-4-8-20(10-12)25(22,23)14-7-3-6-13-15(14)19-24-18-13/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,17,21)/t12-/m0/s1