3-[[tert-butyl(sulfino)amino]methyl]-4-phenyl-benzoic acid

Systemtic Name: 3-[[tert-butyl(sulfino)amino]methyl]-4-phenyl-benzoic acid Openeye Name: 3-[[tert-butyl(sulfino)amino]methyl]-4-phenyl-benzoic acid CAS Name: 3-[[tert-butyl(sulfino)amino]methyl]-4-phenylbenzoic acid IUPAC Name: 3-[[tert-butyl(sulfino)amino]methyl]-4-phenylbenzoic acid Traditional Name: 3-[[tert-butyl(sulfino)amino]methyl]-4-phenyl-benzoic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4S/c1-18(2,3)19(24(22)23)12-15-11-14(17(20)21)9-10-16(15)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)