[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-oxidanyl-4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-oxidanyl-4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-hydroxy-4-(2-thienylsulfonylamino)benzoate CAS Name: 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-hydroxy-4-(2-thienylsulfonylamino)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H25NO6S2 MolecularWeight: 475.5777

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CS5)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CS5)O

InChI

InChI=1S/C23H25NO6S2/c25-19-9-17(24-32(28,29)21-2-1-5-31-21)3-4-18(19)22(27)30-13-20(26)23-10-14-6-15(11-23)8-16(7-14)12-23/h1-5,9,14-16,24-25H,6-8,10-13H2