1-[4-[2-(3,5-dimethylphenoxy)ethoxy]-3-nitro-phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[4-[2-(3,5-dimethylphenoxy)ethoxy]-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-[2-(3,5-dimethylphenoxy)ethoxy]-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-[2-(3,5-dimethylphenoxy)ethoxy]-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-[2-(3,5-dimethylphenoxy)ethoxy]-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-[2-(3,5-dimethylphenoxy)ethoxy]-3-nitro-phenyl]sulfonylpyrrolidine Formula: C20H24N2O6S MolecularWeight: 420.47936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H24N2O6S/c1-15-11-16(2)13-17(12-15)27-9-10-28-20-6-5-18(14-19(20)22(23)24)29(25,26)21-7-3-4-8-21/h5-6,11-14H,3-4,7-10H2,1-2H3