[4-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]morpholin-2-yl]methyl 3-nitrobenzenesulfonate

Systemtic Name: [4-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]morpholin-2-yl]methyl 3-nitrobenzenesulfonate Openeye Name: [4-[4-(4-fluorophenyl)-4-oxo-butyl]morpholin-2-yl]methyl 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[4-(4-fluorophenyl)-4-oxobutyl]-2-morpholinyl]methyl ester IUPAC Name: [4-[4-(4-fluorophenyl)-4-oxobutyl]morpholin-2-yl]methyl 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[4-(4-fluorophenyl)-4-keto-butyl]morpholin-2-yl]methyl ester Formula: C21H23FN2O7S MolecularWeight: 466.479923

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1CCCC(=O)C2=CC=C(C=C2)F)COS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC(CN1CCCC(=O)C2=CC=C(C=C2)F)COS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN2O7S/c22-17-8-6-16(7-9-17)21(25)5-2-10-23-11-12-30-19(14-23)15-31-32(28,29)20-4-1-3-18(13-20)24(26)27/h1,3-4,6-9,13,19H,2,5,10-12,14-15H2