[(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate

Systemtic Name: [(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate Openeye Name: [(1S)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate CAS Name: 3-(cyclopropylsulfamoyl)-2-thiophenecarboxylic acid [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate Traditional Name: 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid [(1S)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C=CS4)S(=O)(=O)NC5CC5

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C=CS4)S(=O)(=O)NC5CC5

InChI

InChI=1S/C21H28N2O5S2/c1-12(19(24)22-21-9-13-6-14(10-21)8-15(7-13)11-21)28-20(25)18-17(4-5-29-18)30(26,27)23-16-2-3-16/h4-5,12-16,23H,2-3,6-11H2,1H3,(H,22,24)/t12-,13?,14?,15?,21?/m0/s1