3-[5-ethoxy-1-(phenylsulfonyl)indol-3-yl]propanoic acid

Systemtic Name: 3-[5-ethoxy-1-(phenylsulfonyl)indol-3-yl]propanoic acid Openeye Name: 3-[1-(benzenesulfonyl)-5-ethoxy-indol-3-yl]propanoic acid CAS Name: 3-[1-(benzenesulfonyl)-5-ethoxy-3-indolyl]propanoic acid IUPAC Name: 3-[1-(benzenesulfonyl)-5-ethoxyindol-3-yl]propanoic acid Traditional Name: 3-(1-besyl-5-ethoxy-indol-3-yl)propionic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19NO5S/c1-2-25-15-9-10-18-17(12-15)14(8-11-19(21)22)13-20(18)26(23,24)16-6-4-3-5-7-16/h3-7,9-10,12-13H,2,8,11H2,1H3,(H,21,22)