[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO5S/c1-2-29(26,27)19-6-4-3-5-18(19)21(25)28-13-20(24)23-14-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,2,7-14H2,1H3,(H,23,24)