2-(2-nitrophenoxy)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-nitrophenoxy)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-2-(2-nitrophenoxy)ethanone CAS Name: 2-(2-nitrophenoxy)-1-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2-nitrophenoxy)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2-nitrophenoxy)-1-(4-p-cumenylsulfonylpiperazino)ethanone Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-16(2)17-7-9-18(10-8-17)31(28,29)23-13-11-22(12-14-23)21(25)15-30-20-6-4-3-5-19(20)24(26)27/h3-10,16H,11-15H2,1-2H3