N-[1-(cyanomethylamino)-3-[(3-methylphenyl)methylsulfonyl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-[(3-methylphenyl)methylsulfonyl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[2-(cyanomethylamino)-1-(m-tolylmethylsulfonylmethyl)-2-oxo-ethyl]benzamide CAS Name: N-[1-(cyanomethylamino)-3-[(3-methylphenyl)methylsulfonyl]-1-oxopropan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-[(3-methylphenyl)methylsulfonyl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[2-(cyanomethylamino)-2-keto-1-[(3-methylbenzyl)sulfonylmethyl]ethyl]benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-15-6-5-7-16(12-15)13-28(26,27)14-18(20(25)22-11-10-21)23-19(24)17-8-3-2-4-9-17/h2-9,12,18H,11,13-14H2,1H3,(H,22,25)(H,23,24)