5-(1-adamantylsulfamoyl)-2-chloranyl-benzoic acid

Systemtic Name: 5-(1-adamantylsulfamoyl)-2-chloranyl-benzoic acid Openeye Name: 5-(1-adamantylsulfamoyl)-2-chloro-benzoic acid CAS Name: 5-(1-adamantylsulfamoyl)-2-chlorobenzoic acid IUPAC Name: 5-(1-adamantylsulfamoyl)-2-chlorobenzoic acid Traditional Name: 5-(1-adamantylsulfamoyl)-2-chloro-benzoic acid Formula: C17H20ClNO4S MolecularWeight: 369.863

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C17H20ClNO4S/c18-15-2-1-13(6-14(15)16(20)21)24(22,23)19-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,19H,3-5,7-9H2,(H,20,21)