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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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