2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-bromo-N-(p-tolylsulfonyl)anilino]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-(4-bromo-N-tosyl-anilino)-N-[3-(methylthio)phenyl]acetamide Formula: C22H21BrN2O3S2 MolecularWeight: 505.44774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC(=CC=C2)SC)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC(=CC=C2)SC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H21BrN2O3S2/c1-16-6-12-21(13-7-16)30(27,28)25(19-10-8-17(23)9-11-19)15-22(26)24-18-4-3-5-20(14-18)29-2/h3-14H,15H2,1-2H3,(H,24,26)