[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-naphthalen-2-ylsulfonylpropanoate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-naphthalen-2-ylsulfonylpropanoate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 3-(2-naphthylsulfonyl)propanoate CAS Name: 3-(2-naphthalenylsulfonyl)propanoic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 3-naphthalen-2-ylsulfonylpropanoate Traditional Name: 3-(2-naphthylsulfonyl)propionic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)CCS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)CCS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H21NO5S/c1-16-6-2-5-9-20(16)23-21(24)15-28-22(25)12-13-29(26,27)19-11-10-17-7-3-4-8-18(17)14-19/h2-11,14H,12-13,15H2,1H3,(H,23,24)