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

Systemtic Name: 3-[[2-methyl-1-(4-propoxyphenyl)propan-2-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[1,1-dimethyl-2-(4-propoxyphenyl)ethyl]amino]propane-1-sulfonic acid CAS Name: 3-[[2-methyl-1-(4-propoxyphenyl)propan-2-yl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[2-methyl-1-(4-propoxyphenyl)propan-2-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[1,1-dimethyl-2-(4-propoxyphenyl)ethyl]amino]propane-1-sulfonic acid Formula: C16H27NO4S MolecularWeight: 329.45488

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CC(C)(C)NCCCS(=O)(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)CC(C)(C)NCCCS(=O)(=O)O

InChI

InChI=1S/C16H27NO4S/c1-4-11-21-15-8-6-14(7-9-15)13-16(2,3)17-10-5-12-22(18,19)20/h6-9,17H,4-5,10-13H2,1-3H3,(H,18,19,20)