[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C19H21N3O5S/c1-22(12-4-10-20)18(23)14-27-19(24)9-11-21-28(25,26)17-8-7-15-5-2-3-6-16(15)13-17/h2-3,5-8,13,21H,4,9,11-12,14H2,1H3