(3S)-1-[4-(3-fluoranylphenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine

Systemtic Name: (3S)-1-[4-(3-fluoranylphenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Openeye Name: (3S)-1-[4-(3-fluorophenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine CAS Name: (3S)-1-[4-(3-fluorophenoxy)-3-nitrophenyl]sulfonyl-3-methylpiperidine IUPAC Name: (3S)-1-[4-(3-fluorophenoxy)-3-nitrophenyl]sulfonyl-3-methylpiperidine Traditional Name: (3S)-1-[4-(3-fluorophenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Formula: C18H19FN2O5S MolecularWeight: 394.417263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H19FN2O5S/c1-13-4-3-9-20(12-13)27(24,25)16-7-8-18(17(11-16)21(22)23)26-15-6-2-5-14(19)10-15/h2,5-8,10-11,13H,3-4,9,12H2,1H3/t13-/m0/s1