2-[5-chloranyl-2-methyl-3-(4-methylsulfonylphenoxy)indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-2-methyl-3-(4-methylsulfonylphenoxy)indol-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-2-methyl-3-(4-methylsulfonylphenoxy)indol-1-yl]acetic acid CAS Name: 2-[5-chloro-2-methyl-3-(4-methylsulfonylphenoxy)-1-indolyl]acetic acid IUPAC Name: 2-[5-chloro-2-methyl-3-(4-methylsulfonylphenoxy)indol-1-yl]acetic acid Traditional Name: 2-[5-chloro-3-(4-mesylphenoxy)-2-methyl-indol-1-yl]acetic acid Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)OC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)OC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H16ClNO5S/c1-11-18(25-13-4-6-14(7-5-13)26(2,23)24)15-9-12(19)3-8-16(15)20(11)10-17(21)22/h3-9H,10H2,1-2H3,(H,21,22)