1-[4-(2-methoxy-4-methyl-phenoxy)-3-nitro-phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[4-(2-methoxy-4-methyl-phenoxy)-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-(2-methoxy-4-methyl-phenoxy)-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-(2-methoxy-4-methylphenoxy)-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-(2-methoxy-4-methylphenoxy)-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-(2-methoxy-4-methyl-phenoxy)-3-nitro-phenyl]sulfonylpyrrolidine Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O6S/c1-13-5-7-17(18(11-13)25-2)26-16-8-6-14(12-15(16)20(21)22)27(23,24)19-9-3-4-10-19/h5-8,11-12H,3-4,9-10H2,1-2H3