3-[(4-phenylmethoxyphenyl)sulfonylamino]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid

Systemtic Name: 3-[(4-phenylmethoxyphenyl)sulfonylamino]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid Openeye Name: 3-[(4-benzyloxyphenyl)sulfonylamino]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid CAS Name: 3-[(4-phenylmethoxyphenyl)sulfonylamino]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid IUPAC Name: 3-[(4-phenylmethoxyphenyl)sulfonylamino]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid Traditional Name: 3-[(4-benzoxyphenyl)sulfonylamino]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1O2)(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CC2CC(CC1O2)(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H23NO6S/c23-20(24)21(12-17-6-7-18(13-21)28-17)22-29(25,26)19-10-8-16(9-11-19)27-14-15-4-2-1-3-5-15/h1-5,8-11,17-18,22H,6-7,12-14H2,(H,23,24)