1-[4-(2-methylsulfanylethoxy)-3-nitro-phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[4-(2-methylsulfanylethoxy)-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-(2-methylsulfanylethoxy)-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-[2-(methylthio)ethoxy]-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-(2-methylsulfanylethoxy)-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-[2-(methylthio)ethoxy]-3-nitro-phenyl]sulfonylpyrrolidine Formula: C13H18N2O5S2 MolecularWeight: 346.42242

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CSCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O5S2/c1-21-9-8-20-13-5-4-11(10-12(13)15(16)17)22(18,19)14-6-2-3-7-14/h4-5,10H,2-3,6-9H2,1H3