1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-[(4-fluoranyl-3-methyl-phenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-[(4-fluoranyl-3-methyl-phenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(4-fluoro-3-methyl-phenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(4-fluoro-3-methylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(4-fluoro-3-methyl-benzyl)isonipecotamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)F

InChI

InChI=1S/C21H22FN3O3S/c1-14-12-15(6-7-18(14)22)13-23-21(26)16-8-10-25(11-9-16)20-17-4-2-3-5-19(17)29(27,28)24-20/h2-7,12,16H,8-11,13H2,1H3,(H,23,26)