1-[4-[3-(3-methylphenoxy)propoxy]-3-nitro-phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[4-[3-(3-methylphenoxy)propoxy]-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-[3-(3-methylphenoxy)propoxy]-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-[3-(3-methylphenoxy)propoxy]-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-[3-(3-methylphenoxy)propoxy]-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-[3-(3-methylphenoxy)propoxy]-3-nitro-phenyl]sulfonylpyrrolidine Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCOC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCCOC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O6S/c1-16-6-4-7-17(14-16)27-12-5-13-28-20-9-8-18(15-19(20)22(23)24)29(25,26)21-10-2-3-11-21/h4,6-9,14-15H,2-3,5,10-13H2,1H3