[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(isopropylsulfamoyl)-4-methoxy-benzoate CAS Name: 4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate Traditional Name: 3-(isopropylsulfamoyl)-4-methoxy-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H31NO6S MolecularWeight: 449.56034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CC(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C23H31NO6S/c1-14(2)24-31(27,28)20-9-18(4-5-19(20)29-3)22(26)30-13-21(25)23-10-15-6-16(11-23)8-17(7-15)12-23/h4-5,9,14-17,24H,6-8,10-13H2,1-3H3