N-(2,4-dimethylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(2,4-dimethylphenyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-(4-besylpiperazino)-N-(2,4-dimethylphenyl)acetamide Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H25N3O3S/c1-16-8-9-19(17(2)14-16)21-20(24)15-22-10-12-23(13-11-22)27(25,26)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)