N-[1-(cyanomethylamino)-3-[(3,5-dimethylphenyl)methylsulfonyl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-[(3,5-dimethylphenyl)methylsulfonyl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[2-(cyanomethylamino)-1-[(3,5-dimethylphenyl)methylsulfonylmethyl]-2-oxo-ethyl]benzamide CAS Name: N-[1-(cyanomethylamino)-3-[(3,5-dimethylphenyl)methylsulfonyl]-1-oxopropan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-[(3,5-dimethylphenyl)methylsulfonyl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[2-(cyanomethylamino)-1-[(3,5-dimethylbenzyl)sulfonylmethyl]-2-keto-ethyl]benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C21H23N3O4S/c1-15-10-16(2)12-17(11-15)13-29(27,28)14-19(21(26)23-9-8-22)24-20(25)18-6-4-3-5-7-18/h3-7,10-12,19H,9,13-14H2,1-2H3,(H,23,26)(H,24,25)