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

Systemtic Name: 1-[4-[(3,5-dimethylphenyl)methoxy]-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-[(3,5-dimethylphenyl)methoxy]-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-[(3,5-dimethylphenyl)methoxy]-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-[(3,5-dimethylphenyl)methoxy]-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-(3,5-dimethylbenzyl)oxy-3-nitro-phenyl]sulfonylpyrrolidine Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N2O5S/c1-14-9-15(2)11-16(10-14)13-26-19-6-5-17(12-18(19)21(22)23)27(24,25)20-7-3-4-8-20/h5-6,9-12H,3-4,7-8,13H2,1-2H3