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

Systemtic Name: [4-[[2,5-bis(fluoranyl)phenyl]methylsulfonyl]-3-nitro-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(2,5-difluorophenyl)methylsulfonyl]-3-nitro-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[(2,5-difluorophenyl)methylsulfonyl]-3-nitrophenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(2,5-difluorophenyl)methylsulfonyl]-3-nitrophenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-(2,5-difluorobenzyl)sulfonyl-3-nitro-phenyl]-pyrrolidino-methanone Formula: C18H16F2N2O5S MolecularWeight: 410.391846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=C(C=CC(=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=C(C=CC(=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16F2N2O5S/c19-14-4-5-15(20)13(9-14)11-28(26,27)17-6-3-12(10-16(17)22(24)25)18(23)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,11H2