(E,3S)-5-methyl-1-(phenylsulfonyl)hex-1-en-3-amine hydrochloride

Systemtic Name: (E,3S)-5-methyl-1-(phenylsulfonyl)hex-1-en-3-amine hydrochloride Openeye Name: (E,3S)-1-(benzenesulfonyl)-5-methyl-hex-1-en-3-amine hydrochloride CAS Name: (E,3S)-1-(benzenesulfonyl)-5-methyl-1-hexen-3-amine hydrochloride IUPAC Name: (E,3S)-1-(benzenesulfonyl)-5-methylhex-1-en-3-amine hydrochloride Traditional Name: [(E,1S)-3-besyl-1-isobutyl-allyl]amine hydrochloride Formula: C13H20ClNO2S MolecularWeight: 289.8214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C=CS(=O)(=O)C1=CC=CC=C1)N.Cl

Isomeric SMILES

CC(C)C[C@@H](/C=C/S(=O)(=O)C1=CC=CC=C1)N.Cl

InChI

InChI=1S/C13H19NO2S.ClH/c1-11(2)10-12(14)8-9-17(15,16)13-6-4-3-5-7-13;/h3-9,11-12H,10,14H2,1-2H3;1H/b9-8+;/t12-;/m1./s1