2-[1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 2-[1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 2-[1-methyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 2-[1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 2-[2-keto-1-methyl-2-[4-(2-nitrophenyl)sulfonylpiperazino]ethoxy]benzonitrile Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=CC=CC=C3C#N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=CC=CC=C3C#N

InChI

InChI=1S/C20H20N4O6S/c1-15(30-18-8-4-2-6-16(18)14-21)20(25)22-10-12-23(13-11-22)31(28,29)19-9-5-3-7-17(19)24(26)27/h2-9,15H,10-13H2,1H3