methyl 4-[[4-(1-adamantyl)phenyl]sulfamoylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(1-adamantyl)phenyl]sulfamoylmethyl]benzoate Openeye Name: methyl 4-[[4-(1-adamantyl)phenyl]sulfamoylmethyl]benzoate CAS Name: 4-[[4-(1-adamantyl)phenyl]sulfamoylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(1-adamantyl)phenyl]sulfamoylmethyl]benzoate Traditional Name: 4-[[4-(1-adamantyl)phenyl]sulfamoylmethyl]benzoic acid methyl ester Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO4S/c1-30-24(27)21-4-2-17(3-5-21)16-31(28,29)26-23-8-6-22(7-9-23)25-13-18-10-19(14-25)12-20(11-18)15-25/h2-9,18-20,26H,10-16H2,1H3