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

Systemtic Name: 1-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[3-nitro-4-(p-tolylsulfanyl)phenyl]sulfonylpyrrolidine CAS Name: 1-[4-[(4-methylphenyl)thio]-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[3-nitro-4-(p-tolylthio)phenyl]sulfonylpyrrolidine Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O4S2/c1-13-4-6-14(7-5-13)24-17-9-8-15(12-16(17)19(20)21)25(22,23)18-10-2-3-11-18/h4-9,12H,2-3,10-11H2,1H3