1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone

Systemtic Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone Openeye Name: 2-(4-isopropylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(4-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone Traditional Name: 2-(4-isopropylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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