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

Systemtic Name: ethyl 1-[4-(4-fluorophenyl)sulfonyl-3-nitro-phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(4-fluorophenyl)sulfonyl-3-nitro-benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-(4-fluorophenyl)sulfonyl-3-nitrophenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-fluorophenyl)sulfonyl-3-nitrobenzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-(4-fluorophenyl)sulfonyl-3-nitro-benzoyl]nipecotic acid ethyl ester Formula: C21H21FN2O7S MolecularWeight: 464.464043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O7S/c1-2-31-21(26)15-4-3-11-23(13-15)20(25)14-5-10-19(18(12-14)24(27)28)32(29,30)17-8-6-16(22)7-9-17/h5-10,12,15H,2-4,11,13H2,1H3