1-[4-[3,4-bis(fluoranyl)phenoxy]-3-nitro-phenyl]sulfonyl-3-methyl-piperidine

Systemtic Name: 1-[4-[3,4-bis(fluoranyl)phenoxy]-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Openeye Name: 1-[4-(3,4-difluorophenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine CAS Name: 1-[4-(3,4-difluorophenoxy)-3-nitrophenyl]sulfonyl-3-methylpiperidine IUPAC Name: 1-[4-(3,4-difluorophenoxy)-3-nitrophenyl]sulfonyl-3-methylpiperidine Traditional Name: 1-[4-(3,4-difluorophenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Formula: C18H18F2N2O5S MolecularWeight: 412.407726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC(=C(C=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC(=C(C=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F2N2O5S/c1-12-3-2-8-21(11-12)28(25,26)14-5-7-18(17(10-14)22(23)24)27-13-4-6-15(19)16(20)9-13/h4-7,9-10,12H,2-3,8,11H2,1H3