[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)sulfamoyl]-2-oxidanyl-benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)sulfamoyl]-2-oxidanyl-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoate CAS Name: 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoate Traditional Name: 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H27N3O8S MolecularWeight: 529.56218

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=C(C=CC(=C4)S(=O)(=O)NC5=CC=C(C=C5)[N+](=O)[O-])O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=C(C=CC(=C4)S(=O)(=O)NC5=CC=C(C=C5)[N+](=O)[O-])O

InChI

InChI=1S/C25H27N3O8S/c29-22-6-5-20(37(34,35)27-18-1-3-19(4-2-18)28(32)33)10-21(22)24(31)36-14-23(30)26-25-11-15-7-16(12-25)9-17(8-15)13-25/h1-6,10,15-17,27,29H,7-9,11-14H2,(H,26,30)