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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

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