N-methyl-4-propan-2-ylsulfanyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-methyl-4-propan-2-ylsulfanyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-isopropylsulfanyl-N-methyl-3-[4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-methyl-3-[oxo-[4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-4-(propan-2-ylthio)benzenesulfonamide IUPAC Name: N-methyl-4-propan-2-ylsulfanyl-3-[4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 4-(isopropylthio)-N-methyl-3-[4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide Formula: C22H26F3N3O3S2 MolecularWeight: 501.58535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=C(C=C1)S(=O)(=O)NC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)SC1=C(C=C(C=C1)S(=O)(=O)NC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H26F3N3O3S2/c1-15(2)32-20-9-8-18(33(30,31)26-3)14-19(20)21(29)28-12-10-27(11-13-28)17-6-4-16(5-7-17)22(23,24)25/h4-9,14-15,26H,10-13H2,1-3H3