3-[(4-tert-butylphenyl)methylamino]propane-1-sulfonic acid

Systemtic Name: 3-[(4-tert-butylphenyl)methylamino]propane-1-sulfonic acid Openeye Name: 3-[(4-tert-butylphenyl)methylamino]propane-1-sulfonic acid CAS Name: 3-[(4-tert-butylphenyl)methylamino]-1-propanesulfonic acid IUPAC Name: 3-[(4-tert-butylphenyl)methylamino]propane-1-sulfonic acid Traditional Name: 3-[(4-tert-butylbenzyl)amino]propane-1-sulfonic acid Formula: C14H23NO3S MolecularWeight: 285.40232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNCCCS(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNCCCS(=O)(=O)O

InChI

InChI=1S/C14H23NO3S/c1-14(2,3)13-7-5-12(6-8-13)11-15-9-4-10-19(16,17)18/h5-8,15H,4,9-11H2,1-3H3,(H,16,17,18)