3-[2-(1H-indol-3-yl)ethylamino]propane-1-sulfonic acid

Systemtic Name: 3-[2-(1H-indol-3-yl)ethylamino]propane-1-sulfonic acid Openeye Name: 3-[2-(1H-indol-3-yl)ethylamino]propane-1-sulfonic acid CAS Name: 3-[2-(1H-indol-3-yl)ethylamino]-1-propanesulfonic acid IUPAC Name: 3-[2-(1H-indol-3-yl)ethylamino]propane-1-sulfonic acid Traditional Name: 3-[2-(1H-indol-3-yl)ethylamino]propane-1-sulfonic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNCCCS(=O)(=O)O

InChI

InChI=1S/C13H18N2O3S/c16-19(17,18)9-3-7-14-8-6-11-10-15-13-5-2-1-4-12(11)13/h1-2,4-5,10,14-15H,3,6-9H2,(H,16,17,18)