3-[1-(2-ethylsulfonylethyl)indol-3-yl]propanoic acid

Systemtic Name: 3-[1-(2-ethylsulfonylethyl)indol-3-yl]propanoic acid Openeye Name: 3-[1-(2-ethylsulfonylethyl)indol-3-yl]propanoic acid CAS Name: 3-[1-(2-ethylsulfonylethyl)-3-indolyl]propanoic acid IUPAC Name: 3-[1-(2-ethylsulfonylethyl)indol-3-yl]propanoic acid Traditional Name: 3-[1-(2-esylethyl)indol-3-yl]propionic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCN1C=C(C2=CC=CC=C21)CCC(=O)O

Isomeric SMILES

CCS(=O)(=O)CCN1C=C(C2=CC=CC=C21)CCC(=O)O

InChI

InChI=1S/C15H19NO4S/c1-2-21(19,20)10-9-16-11-12(7-8-15(17)18)13-5-3-4-6-14(13)16/h3-6,11H,2,7-10H2,1H3,(H,17,18)