[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-oxidanyl-benzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-oxidanyl-benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-hydroxy-5-morpholinosulfonyl-benzoate CAS Name: 2-hydroxy-5-(4-morpholinylsulfonyl)benzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-hydroxy-5-morpholinosulfonyl-benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H21FN2O7S MolecularWeight: 452.453343

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O7S/c21-15-3-1-14(2-4-15)12-22-19(25)13-30-20(26)17-11-16(5-6-18(17)24)31(27,28)23-7-9-29-10-8-23/h1-6,11,24H,7-10,12-13H2,(H,22,25)