[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 3-(benzenesulfonamido)propanoate CAS Name: 3-(benzenesulfonamido)propanoic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate Traditional Name: 3-(benzenesulfonamido)propionic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H20N2O5S/c24-20(23-19-12-6-8-16-7-4-5-11-18(16)19)15-28-21(25)13-14-22-29(26,27)17-9-2-1-3-10-17/h1-12,22H,13-15H2,(H,23,24)