ethyl 4-[[2-(2-fluorophenyl)sulfanyl-5-nitro-phenyl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(2-fluorophenyl)sulfanyl-5-nitro-phenyl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(2-fluorophenyl)sulfanyl-5-nitro-benzoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[2-[(2-fluorophenyl)thio]-5-nitrophenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-fluorophenyl)sulfanyl-5-nitrobenzoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(2-fluorophenyl)thio]-5-nitro-benzoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H22FN3O5S MolecularWeight: 447.479883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F

InChI

InChI=1S/C21H22FN3O5S/c1-2-30-21(27)24-11-9-14(10-12-24)23-20(26)16-13-15(25(28)29)7-8-18(16)31-19-6-4-3-5-17(19)22/h3-8,13-14H,2,9-12H2,1H3,(H,23,26)