ethanesulfonamide; 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: ethanesulfonamide; 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: ethanesulfonamide; 1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: ethanesulfonamide; 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: ethanesulfonamide; 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]proline; ethanesulfonamide Formula: C22H35N3O7S MolecularWeight: 485.5942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O.CCS(=O)(=O)N

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O.CCS(=O)(=O)N

InChI

InChI=1S/C20H28N2O5.C2H7NO2S/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25;1-2-6(3,4)5/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25);2H2,1H3,(H2,3,4,5)