[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C20H25N3O5S/c1-15-4-10-18(11-5-15)29(26,27)21-13-12-20(25)28-14-19(24)22-16-6-8-17(9-7-16)23(2)3/h4-11,21H,12-14H2,1-3H3,(H,22,24)