methyl 3-[[4-(1-adamantyl)phenyl]sulfamoyl]benzoate

Systemtic Name: methyl 3-[[4-(1-adamantyl)phenyl]sulfamoyl]benzoate Openeye Name: methyl 3-[[4-(1-adamantyl)phenyl]sulfamoyl]benzoate CAS Name: 3-[[4-(1-adamantyl)phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(1-adamantyl)phenyl]sulfamoyl]benzoate Traditional Name: 3-[[4-(1-adamantyl)phenyl]sulfamoyl]benzoic acid methyl ester Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H27NO4S/c1-29-23(26)19-3-2-4-22(12-19)30(27,28)25-21-7-5-20(6-8-21)24-13-16-9-17(14-24)11-18(10-16)15-24/h2-8,12,16-18,25H,9-11,13-15H2,1H3