1-(4-fluorophenyl)carbonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)carbonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-fluorobenzoyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-fluorobenzoyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(4-fluorobenzoyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H20FN3O4S2 MolecularWeight: 461.529603

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O4S2/c1-31(28,29)16-6-7-17-18(12-16)30-21(23-17)24-19(26)13-8-10-25(11-9-13)20(27)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,23,24,26)