methyl 2-(1-adamantylsulfamoyl)-5-bromanyl-benzoate

Systemtic Name: methyl 2-(1-adamantylsulfamoyl)-5-bromanyl-benzoate Openeye Name: methyl 2-(1-adamantylsulfamoyl)-5-bromo-benzoate CAS Name: 2-(1-adamantylsulfamoyl)-5-bromobenzoic acid methyl ester IUPAC Name: methyl 2-(1-adamantylsulfamoyl)-5-bromobenzoate Traditional Name: 2-(1-adamantylsulfamoyl)-5-bromo-benzoic acid methyl ester Formula: C18H22BrNO4S MolecularWeight: 428.34058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H22BrNO4S/c1-24-17(21)15-7-14(19)2-3-16(15)25(22,23)20-18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13,20H,4-6,8-10H2,1H3