N-(2-tert-butylsulfanylethyl)-4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]benzamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]benzamide Openeye Name: N-(2-tert-butylsulfanylethyl)-4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]benzamide CAS Name: N-[2-(tert-butylthio)ethyl]-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide Traditional Name: N-[2-(tert-butylthio)ethyl]-4-[(2-fluorobenzyl)-mesyl-amino]benzamide Formula: C21H27FN2O3S2 MolecularWeight: 438.579083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1=CC=C(C=C1)N(CC2=CC=CC=C2F)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1=CC=C(C=C1)N(CC2=CC=CC=C2F)S(=O)(=O)C

InChI

InChI=1S/C21H27FN2O3S2/c1-21(2,3)28-14-13-23-20(25)16-9-11-18(12-10-16)24(29(4,26)27)15-17-7-5-6-8-19(17)22/h5-12H,13-15H2,1-4H3,(H,23,25)