[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: [1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: [1-methyl-2-(2-methylindolin-1-yl)-2-oxo-ethyl] 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid [1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid [2-keto-1-methyl-2-(2-methylindolin-1-yl)ethyl] ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)C(C)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H20ClNO5S/c1-12-10-14-6-4-5-7-17(14)22(12)19(23)13(2)27-20(24)15-8-9-16(21)18(11-15)28(3,25)26/h4-9,11-13H,10H2,1-3H3