[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-sulfamoylbenzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-sulfamoylbenzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S/c21-30(27,28)16-3-1-15(2-4-16)18(25)29-11-17(24)22-19(26)23-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H2,21,27,28)(H2,22,23,24,26)