N-(3,5-dimethylphenyl)-2-phenyl-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-phenyl-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(3,5-dimethylphenyl)-2-phenylacetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)-2-phenylacetamide Traditional Name: 2-(4-besylpiperazino)-N-(3,5-dimethylphenyl)-2-phenyl-acetamide Formula: C26H29N3O3S MolecularWeight: 463.59176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H29N3O3S/c1-20-17-21(2)19-23(18-20)27-26(30)25(22-9-5-3-6-10-22)28-13-15-29(16-14-28)33(31,32)24-11-7-4-8-12-24/h3-12,17-19,25H,13-16H2,1-2H3,(H,27,30)