2-but-3-enoxy-3-oxidanyl-3-[1-(phenylsulfonyl)indol-5-yl]propanoic acid

Systemtic Name: 2-but-3-enoxy-3-oxidanyl-3-[1-(phenylsulfonyl)indol-5-yl]propanoic acid Openeye Name: 3-[1-(benzenesulfonyl)indol-5-yl]-2-but-3-enoxy-3-hydroxy-propanoic acid CAS Name: 3-[1-(benzenesulfonyl)-5-indolyl]-2-but-3-enoxy-3-hydroxypropanoic acid IUPAC Name: 3-[1-(benzenesulfonyl)indol-5-yl]-2-but-3-enoxy-3-hydroxypropanoic acid Traditional Name: 3-(1-besylindol-5-yl)-2-but-3-enoxy-3-hydroxy-propionic acid Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCOC(C(C1=CC2=C(C=C1)N(C=C2)S(=O)(=O)C3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

C=CCCOC(C(C1=CC2=C(C=C1)N(C=C2)S(=O)(=O)C3=CC=CC=C3)O)C(=O)O

InChI

InChI=1S/C21H21NO6S/c1-2-3-13-28-20(21(24)25)19(23)16-9-10-18-15(14-16)11-12-22(18)29(26,27)17-7-5-4-6-8-17/h2,4-12,14,19-20,23H,1,3,13H2,(H,24,25)