4-(4-chloranyl-2-methyl-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(4-chloro-2-methyl-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(4-chloro-2-methylphenoxy)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-chloro-2-methylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(4-chloro-2-methyl-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazino]butan-1-one Formula: C21H24ClN3O6S MolecularWeight: 481.94976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O6S/c1-16-14-17(22)7-8-20(16)31-13-3-6-21(26)23-9-11-24(12-10-23)32(29,30)19-5-2-4-18(15-19)25(27)28/h2,4-5,7-8,14-15H,3,6,9-13H2,1H3