N-[2-(2-but-3-enethioylhydrazinyl)-2-oxidanylidene-ethyl]-N-methyl-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-(2-but-3-enethioylhydrazinyl)-2-oxidanylidene-ethyl]-N-methyl-4-nitro-benzenesulfonamide Openeye Name: N-[2-(2-but-3-enethioylhydrazino)-2-oxo-ethyl]-N-methyl-4-nitro-benzenesulfonamide CAS Name: N-methyl-4-nitro-N-[2-oxo-2-(1-sulfanylidenebut-3-enylhydrazo)ethyl]benzenesulfonamide IUPAC Name: N-[2-(2-but-3-enethioylhydrazinyl)-2-oxoethyl]-N-methyl-4-nitrobenzenesulfonamide Traditional Name: N-[2-(N'-but-3-enethioylhydrazino)-2-keto-ethyl]-N-methyl-4-nitro-benzenesulfonamide Formula: C13H16N4O5S2 MolecularWeight: 372.41994

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NNC(=S)CC=C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)NNC(=S)CC=C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O5S2/c1-3-4-13(23)15-14-12(18)9-16(2)24(21,22)11-7-5-10(6-8-11)17(19)20/h3,5-8H,1,4,9H2,2H3,(H,14,18)(H,15,23)