[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 3-[(4-isopropylphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-cumenylsulfonylamino)propionic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-16(2)18-8-10-19(11-9-18)29(26,27)23-13-12-21(25)28-15-20(24)22-14-17-6-4-3-5-7-17/h3-11,16,23H,12-15H2,1-2H3,(H,22,24)