3-(3-chloranyl-4-methyl-phenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3-chloro-4-methylphenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]propan-1-one Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC)Cl

InChI

InChI=1S/C22H27ClN2O5S/c1-16-4-5-17(14-19(16)23)6-9-22(26)24-10-12-25(13-11-24)31(27,28)21-15-18(29-2)7-8-20(21)30-3/h4-5,7-8,14-15H,6,9-13H2,1-3H3