2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanoic acid Openeye Name: 2-[3-(p-tolylsulfonyl)indol-1-yl]acetic acid CAS Name: 2-[3-(4-methylphenyl)sulfonyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetic acid Traditional Name: 2-(3-tosylindol-1-yl)acetic acid Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)O

InChI

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