2-[butyl-(4-tert-butylphenyl)sulfonyl-amino]benzoic acid

Systemtic Name: 2-[butyl-(4-tert-butylphenyl)sulfonyl-amino]benzoic acid Openeye Name: 2-[butyl-(4-tert-butylphenyl)sulfonyl-amino]benzoic acid CAS Name: 2-[butyl-(4-tert-butylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[butyl-(4-tert-butylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[butyl-(4-tert-butylphenyl)sulfonyl-amino]benzoic acid Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H27NO4S/c1-5-6-15-22(19-10-8-7-9-18(19)20(23)24)27(25,26)17-13-11-16(12-14-17)21(2,3)4/h7-14H,5-6,15H2,1-4H3,(H,23,24)