4-[[3-(dimethylamino)-2,2-dimethyl-propyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[3-(dimethylamino)-2,2-dimethyl-propyl]amino]benzenesulfonic acid Openeye Name: 4-[[3-(dimethylamino)-2,2-dimethyl-propyl]amino]benzenesulfonic acid CAS Name: 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonic acid IUPAC Name: 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonic acid Traditional Name: 4-[[3-(dimethylamino)-2,2-dimethyl-propyl]amino]besylic acid Formula: C13H22N2O3S MolecularWeight: 286.39038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=CC=C(C=C1)S(=O)(=O)O)CN(C)C

Isomeric SMILES

CC(C)(CNC1=CC=C(C=C1)S(=O)(=O)O)CN(C)C

InChI

InChI=1S/C13H22N2O3S/c1-13(2,10-15(3)4)9-14-11-5-7-12(8-6-11)19(16,17)18/h5-8,14H,9-10H2,1-4H3,(H,16,17,18)