(Z,3S)-1-fluoranyl-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine; 4-methylbenzenesulfonic acid

Systemtic Name: (Z,3S)-1-fluoranyl-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine; 4-methylbenzenesulfonic acid Openeye Name: (Z,3S)-1-(benzenesulfonyl)-1-fluoro-5-phenyl-pent-1-en-3-amine; 4-methylbenzenesulfonic acid CAS Name: (Z,3S)-1-(benzenesulfonyl)-1-fluoro-5-phenyl-1-penten-3-amine; 4-methylbenzenesulfonic acid IUPAC Name: (Z,3S)-1-(benzenesulfonyl)-1-fluoro-5-phenylpent-1-en-3-amine; 4-methylbenzenesulfonic acid Traditional Name: [(Z,1S)-3-besyl-3-fluoro-1-phenethyl-allyl]amine; tosylic acid Formula: C24H26FNO5S2 MolecularWeight: 491.595343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCC(C=C(F)S(=O)(=O)C2=CC=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CC[C@@H](/C=C(/F)\S(=O)(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C17H18FNO2S.C7H8O3S/c18-17(22(20,21)16-9-5-2-6-10-16)13-15(19)12-11-14-7-3-1-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,13,15H,11-12,19H2;2-5H,1H3,(H,8,9,10)/b17-13-;/t15-;/m0./s1