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

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-[[methylsulfonyl(phenyl)amino]methyl]benzamide Openeye Name: N-(2-tert-butylsulfanylethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide CAS Name: N-[2-(tert-butylthio)ethyl]-4-[(N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-[2-(tert-butylthio)ethyl]-4-[(N-mesylanilino)methyl]benzamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1=CC=C(C=C1)CN(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1=CC=C(C=C1)CN(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S2/c1-21(2,3)27-15-14-22-20(24)18-12-10-17(11-13-18)16-23(28(4,25)26)19-8-6-5-7-9-19/h5-13H,14-16H2,1-4H3,(H,22,24)