1-[2-(2-fluorophenyl)sulfanyl-5-nitro-phenyl]carbonyl-N-methyl-piperidine-4-carboxamide

Systemtic Name: 1-[2-(2-fluorophenyl)sulfanyl-5-nitro-phenyl]carbonyl-N-methyl-piperidine-4-carboxamide Openeye Name: 1-[2-(2-fluorophenyl)sulfanyl-5-nitro-benzoyl]-N-methyl-piperidine-4-carboxamide CAS Name: 1-[[2-[(2-fluorophenyl)thio]-5-nitrophenyl]-oxomethyl]-N-methyl-4-piperidinecarboxamide IUPAC Name: 1-[2-(2-fluorophenyl)sulfanyl-5-nitrobenzoyl]-N-methylpiperidine-4-carboxamide Traditional Name: 1-[2-[(2-fluorophenyl)thio]-5-nitro-benzoyl]-N-methyl-isonipecotamide Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F

Isomeric SMILES

CNC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F

InChI

InChI=1S/C20H20FN3O4S/c1-22-19(25)13-8-10-23(11-9-13)20(26)15-12-14(24(27)28)6-7-17(15)29-18-5-3-2-4-16(18)21/h2-7,12-13H,8-11H2,1H3,(H,22,25)