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

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-chloro-2-methyl-phenoxy)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-chloro-2-methylphenoxy)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-chloro-2-methylphenoxy)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(4-chloro-2-methyl-phenoxy)-1-[4-(4-mesyl-2-nitro-phenyl)piperazino]butan-1-one Formula: C22H26ClN3O6S MolecularWeight: 495.97634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O6S/c1-16-14-17(23)5-8-21(16)32-13-3-4-22(27)25-11-9-24(10-12-25)19-7-6-18(33(2,30)31)15-20(19)26(28)29/h5-8,14-15H,3-4,9-13H2,1-2H3