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

Systemtic Name: 3-[3-(phenylsulfonyl)indol-1-yl]propanoic acid Openeye Name: 3-[3-(benzenesulfonyl)indol-1-yl]propanoic acid CAS Name: 3-[3-(benzenesulfonyl)-1-indolyl]propanoic acid IUPAC Name: 3-[3-(benzenesulfonyl)indol-1-yl]propanoic acid Traditional Name: 3-(3-besylindol-1-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)C2=CN(C3=CC=CC=C32)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CCC(=O)O

InChI

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