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

Systemtic Name: 3-[5-methoxy-1-(phenylsulfonyl)indol-3-yl]propanoic acid Openeye Name: 3-[1-(benzenesulfonyl)-5-methoxy-indol-3-yl]propanoic acid CAS Name: 3-[1-(benzenesulfonyl)-5-methoxy-3-indolyl]propanoic acid IUPAC Name: 3-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]propanoic acid Traditional Name: 3-(1-besyl-5-methoxy-indol-3-yl)propionic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17NO5S/c1-24-14-8-9-17-16(11-14)13(7-10-18(20)21)12-19(17)25(22,23)15-5-3-2-4-6-15/h2-6,8-9,11-12H,7,10H2,1H3,(H,20,21)