1-[4-(4-methylsulfanylphenoxy)-3-nitro-phenyl]sulfonylpiperidine

Systemtic Name: 1-[4-(4-methylsulfanylphenoxy)-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-(4-methylsulfanylphenoxy)-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-[4-(methylthio)phenoxy]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-(4-methylsulfanylphenoxy)-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-[4-(methylthio)phenoxy]-3-nitro-phenyl]sulfonylpiperidine Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5S2/c1-26-15-7-5-14(6-8-15)25-18-10-9-16(13-17(18)20(21)22)27(23,24)19-11-3-2-4-12-19/h5-10,13H,2-4,11-12H2,1H3