[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[[3-(diethylsulfamoyl)phenyl]carbonylamino]ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[[3-(diethylsulfamoyl)phenyl]carbonylamino]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate CAS Name: 2-[[[3-(diethylsulfamoyl)phenyl]-oxomethyl]amino]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate Traditional Name: 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H35N3O6S MolecularWeight: 505.6269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H35N3O6S/c1-3-28(4-2)35(32,33)21-7-5-6-20(11-21)24(31)26-15-23(30)34-16-22(29)27-25-12-17-8-18(13-25)10-19(9-17)14-25/h5-7,11,17-19H,3-4,8-10,12-16H2,1-2H3,(H,26,31)(H,27,29)