1-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]sulfonylpiperidine

Systemtic Name: 1-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-(4-tert-butylphenoxy)-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-(4-tert-butylphenoxy)-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]sulfonylpiperidine Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O5S/c1-21(2,3)16-7-9-17(10-8-16)28-20-12-11-18(15-19(20)23(24)25)29(26,27)22-13-5-4-6-14-22/h7-12,15H,4-6,13-14H2,1-3H3