1-[3-nitro-4-(3-phenylpropoxy)phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[3-nitro-4-(3-phenylpropoxy)phenyl]sulfonylpyrrolidine Openeye Name: 1-[3-nitro-4-(3-phenylpropoxy)phenyl]sulfonylpyrrolidine CAS Name: 1-[3-nitro-4-(3-phenylpropoxy)phenyl]sulfonylpyrrolidine IUPAC Name: 1-[3-nitro-4-(3-phenylpropoxy)phenyl]sulfonylpyrrolidine Traditional Name: 1-[3-nitro-4-(3-phenylpropoxy)phenyl]sulfonylpyrrolidine Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O5S/c22-21(23)18-15-17(27(24,25)20-12-4-5-13-20)10-11-19(18)26-14-6-9-16-7-2-1-3-8-16/h1-3,7-8,10-11,15H,4-6,9,12-14H2