1-[4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(4-tert-butylphenyl)sulfonylpiperazino]-3-nitro-phenyl]ethanone Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-16(26)17-5-10-20(21(15-17)25(27)28)23-11-13-24(14-12-23)31(29,30)19-8-6-18(7-9-19)22(2,3)4/h5-10,15H,11-14H2,1-4H3