3-[[1-(2,4-dichlorophenyl)-2-methyl-propan-2-yl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[1-(2,4-dichlorophenyl)-2-methyl-propan-2-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[2-(2,4-dichlorophenyl)-1,1-dimethyl-ethyl]amino]propane-1-sulfonic acid CAS Name: 3-[[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[2-(2,4-dichlorophenyl)-1,1-dimethyl-ethyl]amino]propane-1-sulfonic acid Formula: C13H19Cl2NO3S MolecularWeight: 340.26586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(C=C(C=C1)Cl)Cl)NCCCS(=O)(=O)O

Isomeric SMILES

CC(C)(CC1=C(C=C(C=C1)Cl)Cl)NCCCS(=O)(=O)O

InChI

InChI=1S/C13H19Cl2NO3S/c1-13(2,16-6-3-7-20(17,18)19)9-10-4-5-11(14)8-12(10)15/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,17,18,19)