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

Systemtic Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide Traditional Name: 2-(4-besylpiperazino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-17-9-10-20(15-18(17)2)19(3)23-22(26)16-24-11-13-25(14-12-24)29(27,28)21-7-5-4-6-8-21/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26)