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

Systemtic Name: 3-[1-(phenylsulfonyl)indol-3-yl]propanoic acid Openeye Name: 3-[1-(benzenesulfonyl)indol-3-yl]propanoic acid CAS Name: 3-[1-(benzenesulfonyl)-3-indolyl]propanoic acid IUPAC Name: 3-[1-(benzenesulfonyl)indol-3-yl]propanoic acid Traditional Name: 3-(1-besylindol-3-yl)propionic acid Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCC(=O)O

InChI

InChI=1S/C17H15NO4S/c19-17(20)11-10-13-12-18(16-9-5-4-8-15(13)16)23(21,22)14-6-2-1-3-7-14/h1-9,12H,10-11H2,(H,19,20)