2-[4-[2,4-bis(chloranyl)-6-methyl-phenyl]sulfonyl-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-[2,4-bis(chloranyl)-6-methyl-phenyl]sulfonyl-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(2,4-dichloro-6-methyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(2,4-dichloro-6-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(2,4-dichloro-6-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(2,4-dichloro-6-methyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C21H22Cl2F3N3O3S MolecularWeight: 524.38389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F)Cl)Cl

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F)Cl)Cl

InChI

InChI=1S/C21H22Cl2F3N3O3S/c1-14-11-15(22)12-17(23)20(14)33(31,32)29-8-4-7-28(9-10-29)13-19(30)27-18-6-3-2-5-16(18)21(24,25)26/h2-3,5-6,11-12H,4,7-10,13H2,1H3,(H,27,30)