3-[4-(phenylmethyl)-2H-pyridin-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-(phenylmethyl)-2H-pyridin-1-yl]propane-1-sulfonic acid Openeye Name: 3-(4-benzyl-2H-pyridin-1-yl)propane-1-sulfonic acid CAS Name: 3-[4-(phenylmethyl)-2H-pyridin-1-yl]-1-propanesulfonic acid IUPAC Name: 3-(4-benzyl-2H-pyridin-1-yl)propane-1-sulfonic acid Traditional Name: 3-(4-benzyl-2H-pyridin-1-yl)propane-1-sulfonic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CN1CCCS(=O)(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1C=C(C=CN1CCCS(=O)(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C15H19NO3S/c17-20(18,19)12-4-9-16-10-7-15(8-11-16)13-14-5-2-1-3-6-14/h1-3,5-8,10H,4,9,11-13H2,(H,17,18,19)