2-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanoic acid

Systemtic Name: 2-[3-(1-methylsulfonylindol-3-yl)phenyl]ethanoic acid Openeye Name: 2-[3-(1-methylsulfonylindol-3-yl)phenyl]acetic acid CAS Name: 2-[3-(1-methylsulfonyl-3-indolyl)phenyl]acetic acid IUPAC Name: 2-[3-(1-methylsulfonylindol-3-yl)phenyl]acetic acid Traditional Name: 2-[3-(1-mesylindol-3-yl)phenyl]acetic acid Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C=C(C2=CC=CC=C21)C3=CC(=CC=C3)CC(=O)O

Isomeric SMILES

CS(=O)(=O)N1C=C(C2=CC=CC=C21)C3=CC(=CC=C3)CC(=O)O

InChI

InChI=1S/C17H15NO4S/c1-23(21,22)18-11-15(14-7-2-3-8-16(14)18)13-6-4-5-12(9-13)10-17(19)20/h2-9,11H,10H2,1H3,(H,19,20)