[(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-(dimethylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-(dimethylsulfamoyl)benzoate Openeye Name: [(1S)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-(dimethylsulfamoyl)benzoate CAS Name: 4-(dimethylsulfamoyl)benzoic acid [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate Traditional Name: 4-(dimethylsulfamoyl)benzoic acid [(1S)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S/c1-14(20(25)23-22-11-15-8-16(12-22)10-17(9-15)13-22)29-21(26)18-4-6-19(7-5-18)30(27,28)24(2)3/h4-7,14-17H,8-13H2,1-3H3,(H,23,25)/t14-,15?,16?,17?,22?/m0/s1