[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H23FN2O6S MolecularWeight: 450.480523

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O6S/c22-18-6-4-16(5-7-18)8-9-23-20(25)15-30-21(26)17-2-1-3-19(14-17)31(27,28)24-10-12-29-13-11-24/h1-7,14H,8-13,15H2,(H,23,25)