N-[2-chloranyl-4-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]sulfonyl-phenyl]-3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanamide

Systemtic Name: N-[2-chloranyl-4-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]sulfonyl-phenyl]-3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanamide Openeye Name: N-[2-chloro-4-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]sulfonyl-phenyl]-3,3,3-trifluoro-2-hydroxy-2-methyl-propanamide CAS Name: N-[2-chloro-4-[[4-(4-methylsulfonylphenyl)sulfonyl-1-piperazinyl]sulfonyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide IUPAC Name: N-[2-chloro-4-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide Traditional Name: N-[2-chloro-4-[4-(4-mesylphenyl)sulfonylpiperazino]sulfonyl-phenyl]-3,3,3-trifluoro-2-hydroxy-2-methyl-propionamide Formula: C21H23ClF3N3O8S3 MolecularWeight: 634.06583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)Cl)(C(F)(F)F)O

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)Cl)(C(F)(F)F)O

InChI

InChI=1S/C21H23ClF3N3O8S3/c1-20(30,21(23,24)25)19(29)26-18-8-7-16(13-17(18)22)39(35,36)28-11-9-27(10-12-28)38(33,34)15-5-3-14(4-6-15)37(2,31)32/h3-8,13,30H,9-12H2,1-2H3,(H,26,29)