[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C28H31NO7S MolecularWeight: 525.61324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C28H31NO7S/c1-17(26(30)28-14-18-10-19(15-28)12-20(11-18)16-28)36-27(31)21-2-4-22(5-3-21)29-37(32,33)23-6-7-24-25(13-23)35-9-8-34-24/h2-7,13,17-20,29H,8-12,14-16H2,1H3