1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(2-chloranyl-4,6-dimethyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(2-chloranyl-4,6-dimethyl-phenyl)piperidine-4-carboxamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H22ClN3O3S/c1-13-11-14(2)19(17(22)12-13)23-21(26)15-7-9-25(10-8-15)20-16-5-3-4-6-18(16)29(27,28)24-20/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,26)