3-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-N-(cyanomethyl)benzenesulfonamide

Systemtic Name: 3-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-N-(cyanomethyl)benzenesulfonamide Openeye Name: 3-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-(cyanomethyl)benzenesulfonamide CAS Name: 3-[[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-N-(cyanomethyl)benzenesulfonamide IUPAC Name: 3-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-(cyanomethyl)benzenesulfonamide Traditional Name: 3-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-(cyanomethyl)benzenesulfonamide Formula: C21H19ClN4O3S2 MolecularWeight: 474.98356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=C(S2)C=CC(=C3)Cl)C(=O)C4=CC(=CC=C4)S(=O)(=O)NCC#N

Isomeric SMILES

C1CN(CCC1C2=NC3=C(S2)C=CC(=C3)Cl)C(=O)C4=CC(=CC=C4)S(=O)(=O)NCC#N

InChI

InChI=1S/C21H19ClN4O3S2/c22-16-4-5-19-18(13-16)25-20(30-19)14-6-10-26(11-7-14)21(27)15-2-1-3-17(12-15)31(28,29)24-9-8-23/h1-5,12-14,24H,6-7,9-11H2