[(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [(1S)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3-(benzylsulfamoyl)benzoate CAS Name: 3-[(phenylmethyl)sulfamoyl]benzoic acid [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-(benzylsulfamoyl)benzoate Traditional Name: 3-(benzylsulfamoyl)benzoic acid [(1S)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CC=C4)S(=O)(=O)NCC5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CC=C4)S(=O)(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H32N2O5S/c1-18(25(30)29-27-14-20-10-21(15-27)12-22(11-20)16-27)34-26(31)23-8-5-9-24(13-23)35(32,33)28-17-19-6-3-2-4-7-19/h2-9,13,18,20-22,28H,10-12,14-17H2,1H3,(H,29,30)/t18-,20?,21?,22?,27?/m0/s1