[4-[(3-fluorophenyl)methylsulfanyl]-3-nitro-phenyl]-(3-methylpiperidin-1-yl)methanone

Systemtic Name: [4-[(3-fluorophenyl)methylsulfanyl]-3-nitro-phenyl]-(3-methylpiperidin-1-yl)methanone Openeye Name: [4-[(3-fluorophenyl)methylsulfanyl]-3-nitro-phenyl]-(3-methyl-1-piperidyl)methanone CAS Name: [4-[(3-fluorophenyl)methylthio]-3-nitrophenyl]-(3-methyl-1-piperidinyl)methanone IUPAC Name: [4-[(3-fluorophenyl)methylsulfanyl]-3-nitrophenyl]-(3-methylpiperidin-1-yl)methanone Traditional Name: [4-[(3-fluorobenzyl)thio]-3-nitro-phenyl]-(3-methylpiperidino)methanone Formula: C20H21FN2O3S MolecularWeight: 388.455743

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)SCC3=CC(=CC=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)SCC3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN2O3S/c1-14-4-3-9-22(12-14)20(24)16-7-8-19(18(11-16)23(25)26)27-13-15-5-2-6-17(21)10-15/h2,5-8,10-11,14H,3-4,9,12-13H2,1H3