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

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethyl)sulfonyl-propan-2-yl]-3-phenoxy-benzamide Openeye Name: N-[1-(benzylsulfonylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]-3-phenoxy-benzamide CAS Name: N-[1-(cyanomethylamino)-1-oxo-3-(phenylmethyl)sulfonylpropan-2-yl]-3-phenoxybenzamide IUPAC Name: N-[3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]-3-phenoxybenzamide Traditional Name: N-[1-(benzylsulfonylmethyl)-2-(cyanomethylamino)-2-keto-ethyl]-3-phenoxy-benzamide Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H23N3O5S/c26-14-15-27-25(30)23(18-34(31,32)17-19-8-3-1-4-9-19)28-24(29)20-10-7-13-22(16-20)33-21-11-5-2-6-12-21/h1-13,16,23H,15,17-18H2,(H,27,30)(H,28,29)