4-[(2-butoxy-5-tert-butyl-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-[(2-butoxy-5-tert-butyl-phenyl)sulfonylamino]benzoic acid Openeye Name: 4-[(2-butoxy-5-tert-butyl-phenyl)sulfonylamino]benzoic acid CAS Name: 4-[(2-butoxy-5-tert-butylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[(2-butoxy-5-tert-butylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[(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=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

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