3-[(2-butoxy-5-tert-butyl-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 3-[(2-butoxy-5-tert-butyl-phenyl)sulfonylamino]benzoic acid Openeye Name: 3-[(2-butoxy-5-tert-butyl-phenyl)sulfonylamino]benzoic acid CAS Name: 3-[(2-butoxy-5-tert-butylphenyl)sulfonylamino]benzoic acid IUPAC Name: 3-[(2-butoxy-5-tert-butylphenyl)sulfonylamino]benzoic acid Traditional Name: 3-[(2-butoxy-5-tert-butyl-phenyl)sulfonylamino]benzoic acid Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C21H27NO5S/c1-5-6-12-27-18-11-10-16(21(2,3)4)14-19(18)28(25,26)22-17-9-7-8-15(13-17)20(23)24/h7-11,13-14,22H,5-6,12H2,1-4H3,(H,23,24)