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

Systemtic Name: 2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-pyridin-2-ylsulfanylethyl)ethanamide Openeye Name: 2-[3-bromo-N-(p-tolylsulfonyl)anilino]-N-[2-(2-pyridylsulfanyl)ethyl]acetamide CAS Name: 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(2-pyridinylthio)ethyl]acetamide IUPAC Name: 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide Traditional Name: 2-(3-bromo-N-tosyl-anilino)-N-[2-(2-pyridylthio)ethyl]acetamide Formula: C22H22BrN3O3S2 MolecularWeight: 520.46238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC2=CC=CC=N2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC2=CC=CC=N2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H22BrN3O3S2/c1-17-8-10-20(11-9-17)31(28,29)26(19-6-4-5-18(23)15-19)16-21(27)24-13-14-30-22-7-2-3-12-25-22/h2-12,15H,13-14,16H2,1H3,(H,24,27)