4-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylamino]ethyl]benzoic acid CAS Name: 4-[2-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]ethyl]benzoic acid IUPAC Name: 4-[2-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]ethyl]benzoic acid Traditional Name: 4-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylamino]ethyl]benzoic acid Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O)C)C(C)(C)C

InChI

InChI=1S/C21H27NO4S/c1-14-12-18(21(3,4)5)13-15(2)19(14)27(25,26)22-11-10-16-6-8-17(9-7-16)20(23)24/h6-9,12-13,22H,10-11H2,1-5H3,(H,23,24)