2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-[4-(cyanomethyl)phenyl]ethanamide

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-(4-bromo-N-mesyl-3-methyl-anilino)-N-[4-(cyanomethyl)phenyl]acetamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O3S/c1-13-11-16(7-8-17(13)19)22(26(2,24)25)12-18(23)21-15-5-3-14(4-6-15)9-10-20/h3-8,11H,9,12H2,1-2H3,(H,21,23)