[2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-[(4-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H25FN2O6S MolecularWeight: 464.507103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC=C(C=C2)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC=C(C=C2)F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H25FN2O6S/c1-16-3-6-18(13-20(16)32(28,29)25-9-11-30-12-10-25)22(27)31-15-21(26)24(2)14-17-4-7-19(23)8-5-17/h3-8,13H,9-12,14-15H2,1-2H3