[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCC2=CC(=CC=C2)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCC2=CC(=CC=C2)OC

InChI

InChI=1S/C20H23NO6S/c1-15-6-8-18(9-7-15)28(24,25)11-10-20(23)27-14-19(22)21-13-16-4-3-5-17(12-16)26-2/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,22)