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

Systemtic Name: 1-[4-[2-(4-methylphenyl)sulfanylethoxy]-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[3-nitro-4-[2-(p-tolylsulfanyl)ethoxy]phenyl]sulfonylpyrrolidine CAS Name: 1-[4-[2-[(4-methylphenyl)thio]ethoxy]-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-[2-(4-methylphenyl)sulfanylethoxy]-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[3-nitro-4-[2-(p-tolylthio)ethoxy]phenyl]sulfonylpyrrolidine Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCOC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCOC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O5S2/c1-15-4-6-16(7-5-15)27-13-12-26-19-9-8-17(14-18(19)21(22)23)28(24,25)20-10-2-3-11-20/h4-9,14H,2-3,10-13H2,1H3