1-[4-(3,5-dimethylphenoxy)-3-nitro-phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[4-(3,5-dimethylphenoxy)-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-(3,5-dimethylphenoxy)-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-(3,5-dimethylphenoxy)-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-(3,5-dimethylphenoxy)-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-(3,5-dimethylphenoxy)-3-nitro-phenyl]sulfonylpyrrolidine Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N2O5S/c1-13-9-14(2)11-15(10-13)25-18-6-5-16(12-17(18)20(21)22)26(23,24)19-7-3-4-8-19/h5-6,9-12H,3-4,7-8H2,1-2H3