[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2,4-bis(chloranyl)-5-sulfamoyl-benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2,4-bis(chloranyl)-5-sulfamoyl-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2,4-dichloro-5-sulfamoyl-benzoate CAS Name: 2,4-dichloro-5-sulfamoylbenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate Traditional Name: 2,4-dichloro-5-sulfamoyl-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C19H22Cl2N2O5S MolecularWeight: 461.35938

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=C(C=C4Cl)Cl)S(=O)(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=C(C=C4Cl)Cl)S(=O)(=O)N

InChI

InChI=1S/C19H22Cl2N2O5S/c20-14-5-15(21)16(29(22,26)27)4-13(14)18(25)28-9-17(24)23-19-6-10-1-11(7-19)3-12(2-10)8-19/h4-5,10-12H,1-3,6-9H2,(H,23,24)(H2,22,26,27)