5-tert-butyl-N-[2-chloranyl-4-(trifluoromethylsulfonyl)phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-6-oxidanyl-benzamide

Systemtic Name: 5-tert-butyl-N-[2-chloranyl-4-(trifluoromethylsulfonyl)phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-6-oxidanyl-benzamide Openeye Name: 3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-6-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: 3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-6-methyl-5-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: 3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-6-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-tert-butyl-N-(2-chloro-4-triflyl-phenyl)-2-hydroxy-6-methyl-5-(4-methylpiperazino)sulfonyl-benzamide Formula: C24H29ClF3N3O6S2 MolecularWeight: 612.08177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)Cl)O)C(C)(C)C)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)Cl)O)C(C)(C)C)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C24H29ClF3N3O6S2/c1-14-19(39(36,37)31-10-8-30(5)9-11-31)13-16(23(2,3)4)21(32)20(14)22(33)29-18-7-6-15(12-17(18)25)38(34,35)24(26,27)28/h6-7,12-13,32H,8-11H2,1-5H3,(H,29,33)