3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propane-1-sulfonic acid

Systemtic Name: 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propane-1-sulfonic acid Openeye Name: 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propane-1-sulfonic acid CAS Name: 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-propanesulfonic acid IUPAC Name: 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propane-1-sulfonic acid Traditional Name: 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propane-1-sulfonic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCNCCCS(=O)(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNCCCS(=O)(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-20-12-3-4-14-13(9-12)11(10-16-14)5-7-15-6-2-8-21(17,18)19/h3-4,9-10,15-16H,2,5-8H2,1H3,(H,17,18,19)