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

Systemtic Name: 1-[4-[(2-methylphenyl)methylsulfanyl]-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[3-nitro-4-(o-tolylmethylsulfanyl)phenyl]sulfonylpyrrolidine CAS Name: 1-[4-[(2-methylphenyl)methylthio]-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-[(2-methylphenyl)methylsulfanyl]-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-[(2-methylbenzyl)thio]-3-nitro-phenyl]sulfonylpyrrolidine Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4S2/c1-14-6-2-3-7-15(14)13-25-18-9-8-16(12-17(18)20(21)22)26(23,24)19-10-4-5-11-19/h2-3,6-9,12H,4-5,10-11,13H2,1H3