N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(4-benzylsulfonylpiperazino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide Formula: C20H21ClF3N3O3S MolecularWeight: 475.91225

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H21ClF3N3O3S/c21-18-7-6-16(12-17(18)20(22,23)24)25-19(28)13-26-8-10-27(11-9-26)31(29,30)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,25,28)