[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3,5-bis(2-thienylsulfonylamino)benzoate CAS Name: 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 3,5-bis(2-thienylsulfonylamino)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H28N2O7S4 MolecularWeight: 620.78042

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=CC(=C4)NS(=O)(=O)C5=CC=CS5)NS(=O)(=O)C6=CC=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=CC(=C4)NS(=O)(=O)C5=CC=CS5)NS(=O)(=O)C6=CC=CS6

InChI

InChI=1S/C27H28N2O7S4/c30-23(27-13-17-7-18(14-27)9-19(8-17)15-27)16-36-26(31)20-10-21(28-39(32,33)24-3-1-5-37-24)12-22(11-20)29-40(34,35)25-4-2-6-38-25/h1-6,10-12,17-19,28-29H,7-9,13-16H2