2-(4-chloranylphenoxy)-2-methyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(3-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(2,30-17-8-6-15(21)7-9-17)19(25)22-10-12-23(13-11-22)31(28,29)18-5-3-4-16(14-18)24(26)27/h3-9,14H,10-13H2,1-2H3