1-[4-[(4-tert-butyl-2,6-dimethyl-phenyl)methoxy]-3-nitro-phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[4-[(4-tert-butyl-2,6-dimethyl-phenyl)methoxy]-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-[(4-tert-butyl-2,6-dimethyl-phenyl)methoxy]-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-(4-tert-butyl-2,6-dimethyl-benzyl)oxy-3-nitro-phenyl]sulfonylpyrrolidine Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C23H30N2O5S/c1-16-12-18(23(3,4)5)13-17(2)20(16)15-30-22-9-8-19(14-21(22)25(26)27)31(28,29)24-10-6-7-11-24/h8-9,12-14H,6-7,10-11,15H2,1-5H3