N-[1-(cyanomethylamino)-3-[(4-methoxyphenyl)methylsulfonyl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-[(4-methoxyphenyl)methylsulfonyl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[2-(cyanomethylamino)-1-[(4-methoxyphenyl)methylsulfonylmethyl]-2-oxo-ethyl]benzamide CAS Name: N-[1-(cyanomethylamino)-3-[(4-methoxyphenyl)methylsulfonyl]-1-oxopropan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-[(4-methoxyphenyl)methylsulfonyl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[2-(cyanomethylamino)-2-keto-1-(p-anisylsulfonylmethyl)ethyl]benzamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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