4-[[4-(1-adamantyl)phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[4-(1-adamantyl)phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-(1-adamantyl)phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[4-(1-adamantyl)phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-(1-adamantyl)phenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-(1-adamantyl)phenyl]sulfonylamino]benzoic acid Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)S(=O)(=O)NC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)S(=O)(=O)NC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C23H25NO4S/c25-22(26)18-1-5-20(6-2-18)24-29(27,28)21-7-3-19(4-8-21)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,24H,9-14H2,(H,25,26)