N-[1-(cyanomethylamino)-3-methylsulfonyl-1-oxidanylidene-propan-2-yl]-4-(1H-indol-3-yl)butanamide

Systemtic Name: N-[1-(cyanomethylamino)-3-methylsulfonyl-1-oxidanylidene-propan-2-yl]-4-(1H-indol-3-yl)butanamide Openeye Name: N-[2-(cyanomethylamino)-1-(methylsulfonylmethyl)-2-oxo-ethyl]-4-(1H-indol-3-yl)butanamide CAS Name: N-[1-(cyanomethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]-4-(1H-indol-3-yl)butanamide IUPAC Name: N-[1-(cyanomethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]-4-(1H-indol-3-yl)butanamide Traditional Name: N-[2-(cyanomethylamino)-2-keto-1-(mesylmethyl)ethyl]-4-(1H-indol-3-yl)butyramide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)CCCC1=CNC2=CC=CC=C21

Isomeric SMILES

CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)CCCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C18H22N4O4S/c1-27(25,26)12-16(18(24)20-10-9-19)22-17(23)8-4-5-13-11-21-15-7-3-2-6-14(13)15/h2-3,6-7,11,16,21H,4-5,8,10,12H2,1H3,(H,20,24)(H,22,23)