3-[tert-butyl-[oxidanyl(phenyl)methyl]amino]propane-1-sulfonate

Systemtic Name: 3-[tert-butyl-[oxidanyl(phenyl)methyl]amino]propane-1-sulfonate Openeye Name: 3-[tert-butyl-[hydroxy(phenyl)methyl]amino]propane-1-sulfonate CAS Name: 3-[tert-butyl-[hydroxy(phenyl)methyl]amino]-1-propanesulfonate IUPAC Name: 3-[tert-butyl-[hydroxy(phenyl)methyl]amino]propane-1-sulfonate Traditional Name: 3-[tert-butyl-[hydroxy(phenyl)methyl]amino]propane-1-sulfonate Formula: C14H22NO4S- MolecularWeight: 300.39378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CCCS(=O)(=O)[O-])C(C1=CC=CC=C1)O

Isomeric SMILES

CC(C)(C)N(CCCS(=O)(=O)[O-])C(C1=CC=CC=C1)O

InChI

InChI=1S/C14H23NO4S/c1-14(2,3)15(10-7-11-20(17,18)19)13(16)12-8-5-4-6-9-12/h4-6,8-9,13,16H,7,10-11H2,1-3H3,(H,17,18,19)/p-1