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

Systemtic Name: [4-[(3-fluorophenyl)methylsulfonyl]-3-nitro-phenyl]-(4-methylpiperidin-1-yl)methanone Openeye Name: [4-[(3-fluorophenyl)methylsulfonyl]-3-nitro-phenyl]-(4-methyl-1-piperidyl)methanone CAS Name: [4-[(3-fluorophenyl)methylsulfonyl]-3-nitrophenyl]-(4-methyl-1-piperidinyl)methanone IUPAC Name: [4-[(3-fluorophenyl)methylsulfonyl]-3-nitrophenyl]-(4-methylpiperidin-1-yl)methanone Traditional Name: [4-(3-fluorobenzyl)sulfonyl-3-nitro-phenyl]-(4-methylpiperidino)methanone Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC(=CC=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN2O5S/c1-14-7-9-22(10-8-14)20(24)16-5-6-19(18(12-16)23(25)26)29(27,28)13-15-3-2-4-17(21)11-15/h2-6,11-12,14H,7-10,13H2,1H3