N-[1-(cyanomethylamino)-1-oxidanylidene-4-(phenylsulfonyl)butan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-4-(phenylsulfonyl)butan-2-yl]benzamide Openeye Name: N-[3-(benzenesulfonyl)-1-(cyanomethylcarbamoyl)propyl]benzamide CAS Name: N-[4-(benzenesulfonyl)-1-(cyanomethylamino)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[4-(benzenesulfonyl)-1-(cyanomethylamino)-1-oxobutan-2-yl]benzamide Traditional Name: N-[3-besyl-1-(cyanomethylcarbamoyl)propyl]benzamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c20-12-13-21-19(24)17(22-18(23)15-7-3-1-4-8-15)11-14-27(25,26)16-9-5-2-6-10-16/h1-10,17H,11,13-14H2,(H,21,24)(H,22,23)