2-[3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfonylpropanoylamino]ethylazanium

Systemtic Name: 2-[3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfonylpropanoylamino]ethylazanium Openeye Name: 2-[3-(2-anilino-2-oxo-ethyl)sulfonylpropanoylamino]ethylammonium CAS Name: 2-[[3-(2-anilino-2-oxoethyl)sulfonyl-1-oxopropyl]amino]ethylammonium IUPAC Name: 2-[3-(2-anilino-2-oxoethyl)sulfonylpropanoylamino]ethylazanium Traditional Name: 2-[3-(2-anilino-2-keto-ethyl)sulfonylpropanoylamino]ethylammonium Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S/c14-7-8-15-12(17)6-9-21(19,20)10-13(18)16-11-4-2-1-3-5-11/h1-5H,6-10,14H2,(H,15,17)(H,16,18)/p+1