3-(butylamino)-1-(4-fluorophenyl)propan-1-one; 4-methylbenzenesulfonic acid

Systemtic Name: 3-(butylamino)-1-(4-fluorophenyl)propan-1-one; 4-methylbenzenesulfonic acid Openeye Name: 3-(butylamino)-1-(4-fluorophenyl)propan-1-one; 4-methylbenzenesulfonic acid CAS Name: 3-(butylamino)-1-(4-fluorophenyl)-1-propanone; 4-methylbenzenesulfonic acid IUPAC Name: 3-(butylamino)-1-(4-fluorophenyl)propan-1-one; 4-methylbenzenesulfonic acid Traditional Name: 3-(butylamino)-1-(4-fluorophenyl)propan-1-one; tosylic acid Formula: C20H26FNO4S MolecularWeight: 395.488143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18FNO.C7H8O3S/c1-2-3-9-15-10-8-13(16)11-4-6-12(14)7-5-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,15H,2-3,8-10H2,1H3;2-5H,1H3,(H,8,9,10)