(6-chloranyl-1H-indol-3-yl) 2-methyl-3-(2-methylsulfonylphenyl)-3-oxidanylidene-propanoate

Systemtic Name: (6-chloranyl-1H-indol-3-yl) 2-methyl-3-(2-methylsulfonylphenyl)-3-oxidanylidene-propanoate Openeye Name: (6-chloro-1H-indol-3-yl) 2-methyl-3-(2-methylsulfonylphenyl)-3-oxo-propanoate CAS Name: 2-methyl-3-(2-methylsulfonylphenyl)-3-oxopropanoic acid (6-chloro-1H-indol-3-yl) ester IUPAC Name: (6-chloro-1H-indol-3-yl) 2-methyl-3-(2-methylsulfonylphenyl)-3-oxopropanoate Traditional Name: 3-keto-3-(2-mesylphenyl)-2-methyl-propionic acid (6-chloro-1H-indol-3-yl) ester Formula: C19H16ClNO5S MolecularWeight: 405.85204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1S(=O)(=O)C)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1S(=O)(=O)C)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C19H16ClNO5S/c1-11(18(22)14-5-3-4-6-17(14)27(2,24)25)19(23)26-16-10-21-15-9-12(20)7-8-13(15)16/h3-11,21H,1-2H3