1-[phenyl(1-sulfopropyl)amino]propane-1-sulfonic acid

Systemtic Name: 1-[phenyl(1-sulfopropyl)amino]propane-1-sulfonic acid Openeye Name: 1-[N-(1-sulfopropyl)anilino]propane-1-sulfonic acid CAS Name: 1-[N-(1-sulfopropyl)anilino]-1-propanesulfonic acid IUPAC Name: 1-[N-(1-sulfopropyl)anilino]propane-1-sulfonic acid Traditional Name: 1-[N-(1-sulfopropyl)anilino]propane-1-sulfonic acid Formula: C12H19NO6S2 MolecularWeight: 337.41236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N(C1=CC=CC=C1)C(CC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC(N(C1=CC=CC=C1)C(CC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H19NO6S2/c1-3-11(20(14,15)16)13(10-8-6-5-7-9-10)12(4-2)21(17,18)19/h5-9,11-12H,3-4H2,1-2H3,(H,14,15,16)(H,17,18,19)