3-[1-(phenylsulfonyl)-5-propan-2-yloxy-indol-3-yl]propanoic acid

Systemtic Name: 3-[1-(phenylsulfonyl)-5-propan-2-yloxy-indol-3-yl]propanoic acid Openeye Name: 3-[1-(benzenesulfonyl)-5-isopropoxy-indol-3-yl]propanoic acid CAS Name: 3-[1-(benzenesulfonyl)-5-propan-2-yloxy-3-indolyl]propanoic acid IUPAC Name: 3-[1-(benzenesulfonyl)-5-propan-2-yloxyindol-3-yl]propanoic acid Traditional Name: 3-(1-besyl-5-isopropoxy-indol-3-yl)propionic acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO5S/c1-14(2)26-16-9-10-19-18(12-16)15(8-11-20(22)23)13-21(19)27(24,25)17-6-4-3-5-7-17/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,22,23)