[4-[[2,5-bis(fluoranyl)phenyl]methylsulfonyl]-3-nitro-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[[2,5-bis(fluoranyl)phenyl]methylsulfonyl]-3-nitro-phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[(2,5-difluorophenyl)methylsulfonyl]-3-nitro-phenyl]-(1-piperidyl)methanone CAS Name: [4-[(2,5-difluorophenyl)methylsulfonyl]-3-nitrophenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[(2,5-difluorophenyl)methylsulfonyl]-3-nitrophenyl]-piperidin-1-ylmethanone Traditional Name: [4-(2,5-difluorobenzyl)sulfonyl-3-nitro-phenyl]-piperidino-methanone Formula: C19H18F2N2O5S MolecularWeight: 424.418426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=C(C=CC(=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=C(C=CC(=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F2N2O5S/c20-15-5-6-16(21)14(10-15)12-29(27,28)18-7-4-13(11-17(18)23(25)26)19(24)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12H2