N-[2-(2-cyanoaziridin-1-yl)-2-oxidanylidene-ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-(2-cyanoaziridin-1-yl)-2-oxidanylidene-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-(2-cyanoaziridin-1-yl)-2-oxo-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-(2-cyano-1-aziridinyl)-2-oxoethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-(2-cyanoethylenimin-1-yl)-2-keto-ethyl]-4-methyl-benzenesulfonamide Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CC2C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CC2C#N

InChI

InChI=1S/C12H13N3O3S/c1-9-2-4-11(5-3-9)19(17,18)14-7-12(16)15-8-10(15)6-13/h2-5,10,14H,7-8H2,1H3