3-[1-(1-adamantyl)propylsulfamoyl]benzoic acid

Systemtic Name: 3-[1-(1-adamantyl)propylsulfamoyl]benzoic acid Openeye Name: 3-[1-(1-adamantyl)propylsulfamoyl]benzoic acid CAS Name: 3-[1-(1-adamantyl)propylsulfamoyl]benzoic acid IUPAC Name: 3-[1-(1-adamantyl)propylsulfamoyl]benzoic acid Traditional Name: 3-[1-(1-adamantyl)propylsulfamoyl]benzoic acid Formula: C20H27NO4S MolecularWeight: 377.49768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C20H27NO4S/c1-2-18(20-10-13-6-14(11-20)8-15(7-13)12-20)21-26(24,25)17-5-3-4-16(9-17)19(22)23/h3-5,9,13-15,18,21H,2,6-8,10-12H2,1H3,(H,22,23)