1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-(2-nitrophenoxy)ethanone CAS Name: 1-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-(2-nitrophenoxy)ethanone Traditional Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazino]-2-(2-nitrophenoxy)ethanone Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S/c1-22(2,3)17-8-10-18(11-9-17)32(29,30)24-14-12-23(13-15-24)21(26)16-31-20-7-5-4-6-19(20)25(27)28/h4-11H,12-16H2,1-3H3