(E,2S)-4-methylsulfonyl-1-phenyl-but-3-en-2-amine hydrochloride

Systemtic Name: (E,2S)-4-methylsulfonyl-1-phenyl-but-3-en-2-amine hydrochloride Openeye Name: (E,2S)-4-methylsulfonyl-1-phenyl-but-3-en-2-amine hydrochloride CAS Name: (E,2S)-4-methylsulfonyl-1-phenyl-3-buten-2-amine hydrochloride IUPAC Name: (E,2S)-4-methylsulfonyl-1-phenylbut-3-en-2-amine hydrochloride Traditional Name: [(E,1S)-1-benzyl-3-mesyl-allyl]amine hydrochloride Formula: C11H16ClNO2S MolecularWeight: 261.76824

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C=CC(CC1=CC=CC=C1)N.Cl

Isomeric SMILES

CS(=O)(=O)/C=C/[C@H](CC1=CC=CC=C1)N.Cl

InChI

InChI=1S/C11H15NO2S.ClH/c1-15(13,14)8-7-11(12)9-10-5-3-2-4-6-10;/h2-8,11H,9,12H2,1H3;1H/b8-7+;/t11-;/m1./s1