[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C21H19FN2O6S MolecularWeight: 446.448763

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H19FN2O6S/c22-18-6-5-14(31(27,28)24-7-9-29-10-8-24)11-16(18)21(26)30-13-20(25)17-12-23-19-4-2-1-3-15(17)19/h1-6,11-12,23H,7-10,13H2