ethyl 1-[4-(4-fluorophenyl)sulfanyl-3-nitro-phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-(4-fluorophenyl)sulfanyl-3-nitro-phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(4-fluorophenyl)sulfanyl-3-nitro-benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[(4-fluorophenyl)thio]-3-nitrophenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-fluorophenyl)sulfanyl-3-nitrobenzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[(4-fluorophenyl)thio]-3-nitro-benzoyl]nipecotic acid ethyl ester Formula: C21H21FN2O5S MolecularWeight: 432.465243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN2O5S/c1-2-29-21(26)15-4-3-11-23(13-15)20(25)14-5-10-19(18(12-14)24(27)28)30-17-8-6-16(22)7-9-17/h5-10,12,15H,2-4,11,13H2,1H3