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

Systemtic Name: 1-(4-fluorophenyl)-3-(hexylamino)propan-1-one; 4-methylbenzenesulfonic acid Openeye Name: 1-(4-fluorophenyl)-3-(hexylamino)propan-1-one; 4-methylbenzenesulfonic acid CAS Name: 1-(4-fluorophenyl)-3-(hexylamino)-1-propanone; 4-methylbenzenesulfonic acid IUPAC Name: 1-(4-fluorophenyl)-3-(hexylamino)propan-1-one; 4-methylbenzenesulfonic acid Traditional Name: 1-(4-fluorophenyl)-3-(hexylamino)propan-1-one; tosylic acid Formula: C22H30FNO4S MolecularWeight: 423.541303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22FNO.C7H8O3S/c1-2-3-4-5-11-17-12-10-15(18)13-6-8-14(16)9-7-13;1-6-2-4-7(5-3-6)11(8,9)10/h6-9,17H,2-5,10-12H2,1H3;2-5H,1H3,(H,8,9,10)