4-azanyl-5-(3-fluorophenyl)-3-oxidanyl-pentan-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: 4-azanyl-5-(3-fluorophenyl)-3-oxidanyl-pentan-2-one; 4-methylbenzenesulfonic acid Openeye Name: 4-amino-5-(3-fluorophenyl)-3-hydroxy-pentan-2-one; 4-methylbenzenesulfonic acid CAS Name: 4-amino-5-(3-fluorophenyl)-3-hydroxy-2-pentanone; 4-methylbenzenesulfonic acid IUPAC Name: 4-amino-5-(3-fluorophenyl)-3-hydroxypentan-2-one; 4-methylbenzenesulfonic acid Traditional Name: 4-amino-5-(3-fluorophenyl)-3-hydroxy-pentan-2-one; tosylic acid Formula: C18H22FNO5S MolecularWeight: 383.434383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)C(C(CC1=CC(=CC=C1)F)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)C(C(CC1=CC(=CC=C1)F)N)O

InChI

InChI=1S/C11H14FNO2.C7H8O3S/c1-7(14)11(15)10(13)6-8-3-2-4-9(12)5-8;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,10-11,15H,6,13H2,1H3;2-5H,1H3,(H,8,9,10)