2-[2-methyl-3-(phenylsulfonyl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-3-(phenylsulfonyl)indol-1-yl]ethanoic acid Openeye Name: 2-[3-(benzenesulfonyl)-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[3-(benzenesulfonyl)-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(benzenesulfonyl)-2-methylindol-1-yl]acetic acid Traditional Name: 2-(3-besyl-2-methyl-indol-1-yl)acetic acid Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

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