1-[4-[(4-tert-butylphenyl)methoxy]-3-nitro-phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[4-[(4-tert-butylphenyl)methoxy]-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-[(4-tert-butylphenyl)methoxy]-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-[(4-tert-butylphenyl)methoxy]-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-[(4-tert-butylphenyl)methoxy]-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-(4-tert-butylbenzyl)oxy-3-nitro-phenyl]sulfonylpyrrolidine Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-21(2,3)17-8-6-16(7-9-17)15-28-20-11-10-18(14-19(20)23(24)25)29(26,27)22-12-4-5-13-22/h6-11,14H,4-5,12-13,15H2,1-3H3