[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-(methylsulfamoyl)benzoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-(methylsulfamoyl)benzoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3-(methylsulfamoyl)benzoate CAS Name: 3-(methylsulfamoyl)benzoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate Traditional Name: 3-(methylsulfamoyl)benzoic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CC=C4)S(=O)(=O)NC

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CC=C4)S(=O)(=O)NC

InChI

InChI=1S/C21H28N2O5S/c1-13(28-20(25)17-4-3-5-18(9-17)29(26,27)22-2)19(24)23-21-10-14-6-15(11-21)8-16(7-14)12-21/h3-5,9,13-16,22H,6-8,10-12H2,1-2H3,(H,23,24)/t13-,14?,15?,16?,21?/m1/s1