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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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