2-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]ethylazanium

Systemtic Name: 2-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]ethylazanium Openeye Name: 2-[[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfonylacetyl]amino]ethylammonium CAS Name: 2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-1-oxoethyl]amino]ethylammonium IUPAC Name: 2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfonylacetyl]amino]ethylazanium Traditional Name: 2-[[2-[2-keto-2-(p-toluidino)ethyl]sulfonylacetyl]amino]ethylammonium Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CS(=O)(=O)CC(=O)NCC[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CS(=O)(=O)CC(=O)NCC[NH3+]

InChI

InChI=1S/C13H19N3O4S/c1-10-2-4-11(5-3-10)16-13(18)9-21(19,20)8-12(17)15-7-6-14/h2-5H,6-9,14H2,1H3,(H,15,17)(H,16,18)/p+1