2-(2-chloranylphenoxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(2-chloranylphenoxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(2-chlorophenoxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(2-chlorophenoxy)-1-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(2-chlorophenoxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(2-chlorophenoxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]propan-1-one Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC)OC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC)OC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN2O6S/c1-15(30-18-7-5-4-6-17(18)22)21(25)23-10-12-24(13-11-23)31(26,27)16-8-9-19(28-2)20(14-16)29-3/h4-9,14-15H,10-13H2,1-3H3