[1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: [1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: [2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl] 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid [2-(1-acetylindolin-5-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H20ClNO6S MolecularWeight: 449.9046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H20ClNO6S/c1-12(29-21(26)16-4-6-17(22)19(11-16)30(3,27)28)20(25)15-5-7-18-14(10-15)8-9-23(18)13(2)24/h4-7,10-12H,8-9H2,1-3H3