1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)sulfonyl-ethanone Openeye Name: 2-(4-isopropylphenyl)sulfonyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-2-(4-propan-2-ylphenyl)sulfonylethanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)sulfonylethanone Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-p-cumenylsulfonyl-ethanone Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-16(2)17-3-9-20(10-4-17)30(28,29)15-21(25)23-13-11-22(12-14-23)18-5-7-19(8-6-18)24(26)27/h3-10,16H,11-15H2,1-2H3