N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[4-(m-tolylmethyl)piperazin-1-yl]acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[4-(3-methylbenzyl)piperazino]acetamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H26ClN3O3S/c1-16-4-3-5-17(12-16)14-24-8-10-25(11-9-24)15-21(26)23-20-13-18(29(2,27)28)6-7-19(20)22/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,26)