[2-(1-adamantyl)-6-sulfamoyl-phenyl] 4-methoxybenzoate

Systemtic Name: [2-(1-adamantyl)-6-sulfamoyl-phenyl] 4-methoxybenzoate Openeye Name: [2-(1-adamantyl)-6-sulfamoyl-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-(1-adamantyl)-6-sulfamoylphenyl] ester IUPAC Name: [2-(1-adamantyl)-6-sulfamoylphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-(1-adamantyl)-6-sulfamoyl-phenyl] ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=CC=C2S(=O)(=O)N)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=CC=C2S(=O)(=O)N)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H27NO5S/c1-29-19-7-5-18(6-8-19)23(26)30-22-20(3-2-4-21(22)31(25,27)28)24-12-15-9-16(13-24)11-17(10-15)14-24/h2-8,15-17H,9-14H2,1H3,(H2,25,27,28)