[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C23H32N4O6S MolecularWeight: 492.58838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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