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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-(2-thienylsulfonylamino)benzoate CAS Name: 4-(thiophen-2-ylsulfonylamino)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 4-(2-thienylsulfonylamino)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H25NO5S2 MolecularWeight: 459.5783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5S2/c25-20(23-11-15-8-16(12-23)10-17(9-15)13-23)14-29-22(26)18-3-5-19(6-4-18)24-31(27,28)21-2-1-7-30-21/h1-7,15-17,24H,8-14H2