N-(cyanomethyl)-3-cyclohexyl-2-(phenylsulfonylcarbamoylamino)propanamide

Systemtic Name: N-(cyanomethyl)-3-cyclohexyl-2-(phenylsulfonylcarbamoylamino)propanamide Openeye Name: 2-(benzenesulfonylcarbamoylamino)-N-(cyanomethyl)-3-cyclohexyl-propanamide CAS Name: 2-[[benzenesulfonamido(oxo)methyl]amino]-N-(cyanomethyl)-3-cyclohexylpropanamide IUPAC Name: 2-(benzenesulfonylcarbamoylamino)-N-(cyanomethyl)-3-cyclohexylpropanamide Traditional Name: 2-(besylcarbamoylamino)-N-(cyanomethyl)-3-cyclohexyl-propionamide Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCC#N)NC(=O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NCC#N)NC(=O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H24N4O4S/c19-11-12-20-17(23)16(13-14-7-3-1-4-8-14)21-18(24)22-27(25,26)15-9-5-2-6-10-15/h2,5-6,9-10,14,16H,1,3-4,7-8,12-13H2,(H,20,23)(H2,21,22,24)