3-(3-chloranyl-4-methyl-phenyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3-chloro-4-methylphenyl)-1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]propan-1-one Formula: C21H24ClN3O6S MolecularWeight: 481.94976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O6S/c1-15-3-4-16(13-18(15)22)5-8-21(26)23-9-11-24(12-10-23)32(29,30)17-6-7-20(31-2)19(14-17)25(27)28/h3-4,6-7,13-14H,5,8-12H2,1-2H3