2-(4-chloranylphenoxy)-2-methyl-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(2-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O6S/c1-20(2,30-16-9-7-15(21)8-10-16)19(25)22-11-13-23(14-12-22)31(28,29)18-6-4-3-5-17(18)24(26)27/h3-10H,11-14H2,1-2H3