3-[[(E,3R)-1-(4-fluorophenyl)-5-methyl-hex-1-en-3-yl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[(E,3R)-1-(4-fluorophenyl)-5-methyl-hex-1-en-3-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[(1R)-1-[(E)-2-(4-fluorophenyl)vinyl]-3-methyl-butyl]amino]propane-1-sulfonic acid CAS Name: 3-[[(E,3R)-1-(4-fluorophenyl)-5-methylhex-1-en-3-yl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[(E,3R)-1-(4-fluorophenyl)-5-methylhex-1-en-3-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[(E,1R)-3-(4-fluorophenyl)-1-isobutyl-allyl]amino]propane-1-sulfonic acid Formula: C16H24FNO3S MolecularWeight: 329.430063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C=CC1=CC=C(C=C1)F)NCCCS(=O)(=O)O

Isomeric SMILES

CC(C)C[C@H](/C=C/C1=CC=C(C=C1)F)NCCCS(=O)(=O)O

InChI

InChI=1S/C16H24FNO3S/c1-13(2)12-16(18-10-3-11-22(19,20)21)9-6-14-4-7-15(17)8-5-14/h4-9,13,16,18H,3,10-12H2,1-2H3,(H,19,20,21)/b9-6+/t16-/m0/s1