N-[3,5-dimethyl-4-(2-methylsulfonylphenyl)sulfonyl-piperazin-1-yl]-N-(3-fluoranyl-2-methyl-phenyl)ethanamide

Systemtic Name: N-[3,5-dimethyl-4-(2-methylsulfonylphenyl)sulfonyl-piperazin-1-yl]-N-(3-fluoranyl-2-methyl-phenyl)ethanamide Openeye Name: N-[3,5-dimethyl-4-(2-methylsulfonylphenyl)sulfonyl-piperazin-1-yl]-N-(3-fluoro-2-methyl-phenyl)acetamide CAS Name: N-[3,5-dimethyl-4-(2-methylsulfonylphenyl)sulfonyl-1-piperazinyl]-N-(3-fluoro-2-methylphenyl)acetamide IUPAC Name: N-[3,5-dimethyl-4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide Traditional Name: N-(3-fluoro-2-methyl-phenyl)-N-[4-(2-mesylphenyl)sulfonyl-3,5-dimethyl-piperazino]acetamide Formula: C22H28FN3O5S2 MolecularWeight: 497.603223

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)C)N(C3=C(C(=CC=C3)F)C)C(=O)C

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)C)N(C3=C(C(=CC=C3)F)C)C(=O)C

InChI

InChI=1S/C22H28FN3O5S2/c1-15-13-24(25(18(4)27)20-10-8-9-19(23)17(20)3)14-16(2)26(15)33(30,31)22-12-7-6-11-21(22)32(5,28)29/h6-12,15-16H,13-14H2,1-5H3