3-[2-(4-bromophenyl)ethylamino]propane-1-sulfonic acid

Systemtic Name: 3-[2-(4-bromophenyl)ethylamino]propane-1-sulfonic acid Openeye Name: 3-[2-(4-bromophenyl)ethylamino]propane-1-sulfonic acid CAS Name: 3-[2-(4-bromophenyl)ethylamino]-1-propanesulfonic acid IUPAC Name: 3-[2-(4-bromophenyl)ethylamino]propane-1-sulfonic acid Traditional Name: 3-[2-(4-bromophenyl)ethylamino]propane-1-sulfonic acid Formula: C11H16BrNO3S MolecularWeight: 322.21864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNCCCS(=O)(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CCNCCCS(=O)(=O)O)Br

InChI

InChI=1S/C11H16BrNO3S/c12-11-4-2-10(3-5-11)6-8-13-7-1-9-17(14,15)16/h2-5,13H,1,6-9H2,(H,14,15,16)