2-(3,5-dimethylphenoxy)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(3,5-dimethylphenoxy)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(3,5-dimethylphenoxy)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-(3,5-dimethylphenoxy)-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(3,5-dimethylphenoxy)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-(3,5-dimethylphenoxy)-N-[4-(4-mesylpiperazino)phenyl]acetamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C21H27N3O4S/c1-16-12-17(2)14-20(13-16)28-15-21(25)22-18-4-6-19(7-5-18)23-8-10-24(11-9-23)29(3,26)27/h4-7,12-14H,8-11,15H2,1-3H3,(H,22,25)