N-[3-[(4-tert-butylphenyl)methylsulfonyl]-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[3-[(4-tert-butylphenyl)methylsulfonyl]-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[1-[(4-tert-butylphenyl)methylsulfonylmethyl]-2-(cyanomethylamino)-2-oxo-ethyl]benzamide CAS Name: N-[3-[(4-tert-butylphenyl)methylsulfonyl]-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide IUPAC Name: N-[3-[(4-tert-butylphenyl)methylsulfonyl]-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide Traditional Name: N-[1-[(4-tert-butylbenzyl)sulfonylmethyl]-2-(cyanomethylamino)-2-keto-ethyl]benzamide Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H27N3O4S/c1-23(2,3)19-11-9-17(10-12-19)15-31(29,30)16-20(22(28)25-14-13-24)26-21(27)18-7-5-4-6-8-18/h4-12,20H,14-16H2,1-3H3,(H,25,28)(H,26,27)