[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]ethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]ethanoate Openeye Name: [(1R)-1-(benzylcarbamoyl)propyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxobutan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [(1R)-1-(benzylcarbamoyl)propyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H25N3O6S/c1-3-19(21(27)22-13-16-7-5-4-6-8-16)30-20(26)14-23-31(28,29)18-11-9-17(10-12-18)24-15(2)25/h4-12,19,23H,3,13-14H2,1-2H3,(H,22,27)(H,24,25)/t19-/m1/s1