1-[4-[(4-methylsulfanylphenyl)methoxy]-3-nitro-phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[4-[(4-methylsulfanylphenyl)methoxy]-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-[(4-methylsulfanylphenyl)methoxy]-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-[[4-(methylthio)phenyl]methoxy]-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-[(4-methylsulfanylphenyl)methoxy]-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-[4-(methylthio)benzyl]oxy-3-nitro-phenyl]sulfonylpyrrolidine Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5S2/c1-26-15-6-4-14(5-7-15)13-25-18-9-8-16(12-17(18)20(21)22)27(23,24)19-10-2-3-11-19/h4-9,12H,2-3,10-11,13H2,1H3