N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethyl)sulfonyl-propan-2-yl]-3-methoxy-benzamide

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethyl)sulfonyl-propan-2-yl]-3-methoxy-benzamide Openeye Name: N-[1-(benzylsulfonylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]-3-methoxy-benzamide CAS Name: N-[1-(cyanomethylamino)-1-oxo-3-(phenylmethyl)sulfonylpropan-2-yl]-3-methoxybenzamide IUPAC Name: N-[3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]-3-methoxybenzamide Traditional Name: N-[1-(benzylsulfonylmethyl)-2-(cyanomethylamino)-2-keto-ethyl]-3-methoxy-benzamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)NCC#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)NCC#N

InChI

InChI=1S/C20H21N3O5S/c1-28-17-9-5-8-16(12-17)19(24)23-18(20(25)22-11-10-21)14-29(26,27)13-15-6-3-2-4-7-15/h2-9,12,18H,11,13-14H2,1H3,(H,22,25)(H,23,24)