2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one CAS Name: 2-(4-chloro-2-methylphenoxy)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chloro-2-methylphenoxy)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-(4-mesyl-2-nitro-phenyl)piperazino]propan-1-one Formula: C21H24ClN3O6S MolecularWeight: 481.94976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O6S/c1-14-12-16(22)4-7-20(14)31-15(2)21(26)24-10-8-23(9-11-24)18-6-5-17(32(3,29)30)13-19(18)25(27)28/h4-7,12-13,15H,8-11H2,1-3H3