3-[[(4-tert-butylphenyl)-methylsulfonyl-amino]methyl]-5-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 3-[[(4-tert-butylphenyl)-methylsulfonyl-amino]methyl]-5-methyl-2-oxidanyl-benzoic acid Openeye Name: 3-[(4-tert-butyl-N-methylsulfonyl-anilino)methyl]-2-hydroxy-5-methyl-benzoic acid CAS Name: 3-[(4-tert-butyl-N-methylsulfonylanilino)methyl]-2-hydroxy-5-methylbenzoic acid IUPAC Name: 3-[(4-tert-butyl-N-methylsulfonylanilino)methyl]-2-hydroxy-5-methylbenzoic acid Traditional Name: 3-[(4-tert-butyl-N-mesyl-anilino)methyl]-2-hydroxy-5-methyl-benzoic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)O)CN(C2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)O)CN(C2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C20H25NO5S/c1-13-10-14(18(22)17(11-13)19(23)24)12-21(27(5,25)26)16-8-6-15(7-9-16)20(2,3)4/h6-11,22H,12H2,1-5H3,(H,23,24)