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

Systemtic Name: N-[1-(cyanomethylamino)-3-[(4-cyanophenyl)methylsulfonyl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[2-(cyanomethylamino)-1-[(4-cyanophenyl)methylsulfonylmethyl]-2-oxo-ethyl]benzamide CAS Name: N-[1-(cyanomethylamino)-3-[(4-cyanophenyl)methylsulfonyl]-1-oxopropan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-[(4-cyanophenyl)methylsulfonyl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[1-[(4-cyanobenzyl)sulfonylmethyl]-2-(cyanomethylamino)-2-keto-ethyl]benzamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CS(=O)(=O)CC2=CC=C(C=C2)C#N)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CS(=O)(=O)CC2=CC=C(C=C2)C#N)C(=O)NCC#N

InChI

InChI=1S/C20H18N4O4S/c21-10-11-23-20(26)18(24-19(25)17-4-2-1-3-5-17)14-29(27,28)13-16-8-6-15(12-22)7-9-16/h1-9,18H,11,13-14H2,(H,23,26)(H,24,25)