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

Systemtic Name: 1-[4-(4-methylsulfanylphenoxy)-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-(4-methylsulfanylphenoxy)-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-[4-(methylthio)phenoxy]-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-(4-methylsulfanylphenoxy)-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-[4-(methylthio)phenoxy]-3-nitro-phenyl]sulfonylpyrrolidine Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5S2/c1-25-14-6-4-13(5-7-14)24-17-9-8-15(12-16(17)19(20)21)26(22,23)18-10-2-3-11-18/h4-9,12H,2-3,10-11H2,1H3