N-[1-(cyanomethylamino)-2-methylsulfonyl-1-oxidanylidene-propan-2-yl]benzamide; methylbenzene

Systemtic Name: N-[1-(cyanomethylamino)-2-methylsulfonyl-1-oxidanylidene-propan-2-yl]benzamide; methylbenzene Openeye Name: N-[2-(cyanomethylamino)-1-methyl-1-methylsulfonyl-2-oxo-ethyl]benzamide; toluene CAS Name: N-[1-(cyanomethylamino)-2-methylsulfonyl-1-oxopropan-2-yl]benzamide; toluene IUPAC Name: N-[1-(cyanomethylamino)-2-methylsulfonyl-1-oxopropan-2-yl]benzamide; toluene Traditional Name: N-[2-(cyanomethylamino)-2-keto-1-mesyl-1-methyl-ethyl]benzamide; toluene Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC(C(=O)NCC#N)(NC(=O)C1=CC=CC=C1)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1.CC(C(=O)NCC#N)(NC(=O)C1=CC=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C13H15N3O4S.C7H8/c1-13(21(2,19)20,12(18)15-9-8-14)16-11(17)10-6-4-3-5-7-10;1-7-5-3-2-4-6-7/h3-7H,9H2,1-2H3,(H,15,18)(H,16,17);2-6H,1H3