[1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-1-methyl-2-(3-sulfamoylanilino)ethyl] ester Formula: C23H32N4O6S MolecularWeight: 492.58838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H32N4O6S/c1-14(21(29)26-18-3-2-4-19(10-18)34(24,31)32)33-20(28)5-6-25-22(30)27-23-11-15-7-16(12-23)9-17(8-15)13-23/h2-4,10,14-17H,5-9,11-13H2,1H3,(H,26,29)(H2,24,31,32)(H2,25,27,30)