1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)propan-1-one

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)propan-1-one Openeye Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)propan-1-one CAS Name: 1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(3-methylphenoxy)-1-propanone IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)propan-1-one Traditional Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-(3-methylphenoxy)propan-1-one Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-16-6-5-7-20(14-16)28-19(4)22(25)23-10-12-24(13-11-23)29(26,27)21-9-8-17(2)18(3)15-21/h5-9,14-15,19H,10-13H2,1-4H3