N-(1,3-benzothiazol-5-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-5-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(1,3-benzothiazol-5-yl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-5-yl)-1-besyl-nipecotamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC=N4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C19H19N3O3S2/c23-19(21-15-8-9-18-17(11-15)20-13-26-18)14-5-4-10-22(12-14)27(24,25)16-6-2-1-3-7-16/h1-3,6-9,11,13-14H,4-5,10,12H2,(H,21,23)