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

Systemtic Name: 1-[3-nitro-4-(2-phenoxyethylsulfanyl)phenyl]sulfonylpyrrolidine Openeye Name: 1-[3-nitro-4-(2-phenoxyethylsulfanyl)phenyl]sulfonylpyrrolidine CAS Name: 1-[3-nitro-4-(2-phenoxyethylthio)phenyl]sulfonylpyrrolidine IUPAC Name: 1-[3-nitro-4-(2-phenoxyethylsulfanyl)phenyl]sulfonylpyrrolidine Traditional Name: 1-[3-nitro-4-(2-phenoxyethylthio)phenyl]sulfonylpyrrolidine Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SCCOC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SCCOC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5S2/c21-20(22)17-14-16(27(23,24)19-10-4-5-11-19)8-9-18(17)26-13-12-25-15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2