[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(naphthalen-2-ylsulfonylamino)ethanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(naphthalen-2-ylsulfonylamino)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(2-naphthylsulfonylamino)acetate CAS Name: 2-(2-naphthalenylsulfonylamino)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-naphthylsulfonylamino)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H21N3O5S/c24-13-6-14-26(20-9-2-1-3-10-20)22(27)17-31-23(28)16-25-32(29,30)21-12-11-18-7-4-5-8-19(18)15-21/h1-5,7-12,15,25H,6,14,16-17H2