2-(3-chloranylphenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(3-chloranylphenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(3-chlorophenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(3-chlorophenoxy)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(3-chlorophenoxy)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(3-chlorophenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propan-1-one Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C(C)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C(C)OC3=CC(=CC=C3)Cl

InChI

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