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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C19H21N3O6S/c1-2-10-20-19(25)22-17(23)13-28-18(24)9-11-21-29(26,27)16-8-7-14-5-3-4-6-15(14)12-16/h2-8,12,21H,1,9-11,13H2,(H2,20,22,23,25)