N-(4-bromanyl-2-methyl-phenyl)-2-[2-[(4-cyanophenyl)methylsulfonyl]ethanoyl-methyl-amino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-[(4-cyanophenyl)methylsulfonyl]ethanoyl-methyl-amino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methyl-amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-[(4-cyanophenyl)methylsulfonyl]-1-oxoethyl]-methylamino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(4-cyanobenzyl)sulfonylacetyl]-methyl-amino]acetamide Formula: C20H20BrN3O4S MolecularWeight: 478.3595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CS(=O)(=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CS(=O)(=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H20BrN3O4S/c1-14-9-17(21)7-8-18(14)23-19(25)11-24(2)20(26)13-29(27,28)12-16-5-3-15(10-22)4-6-16/h3-9H,11-13H2,1-2H3,(H,23,25)