[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C18H19N3O5S/c19-9-3-10-20-17(22)13-26-18(23)8-11-21-27(24,25)16-7-6-14-4-1-2-5-15(14)12-16/h1-2,4-7,12,21H,3,8,10-11,13H2,(H,20,22)