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

Systemtic Name: 1-(4-fluorophenyl)carbonyl-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-fluorobenzoyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-fluorobenzoyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(4-fluorobenzoyl)-N-(6-nitro-1,3-benzothiazol-2-yl)isonipecotamide Formula: C20H17FN4O4S MolecularWeight: 428.436783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H17FN4O4S/c21-14-3-1-13(2-4-14)19(27)24-9-7-12(8-10-24)18(26)23-20-22-16-6-5-15(25(28)29)11-17(16)30-20/h1-6,11-12H,7-10H2,(H,22,23,26)