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

Systemtic Name: (E,2S)-1-phenyl-4-(phenylsulfonyl)but-3-en-2-amine hydrochloride Openeye Name: (E,2S)-4-(benzenesulfonyl)-1-phenyl-but-3-en-2-amine hydrochloride CAS Name: (E,2S)-4-(benzenesulfonyl)-1-phenyl-3-buten-2-amine hydrochloride IUPAC Name: (E,2S)-4-(benzenesulfonyl)-1-phenylbut-3-en-2-amine hydrochloride Traditional Name: [(E,1S)-1-benzyl-3-besyl-allyl]amine hydrochloride Formula: C16H18ClNO2S MolecularWeight: 323.83762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C=CS(=O)(=O)C2=CC=CC=C2)N.Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO2S.ClH/c17-15(13-14-7-3-1-4-8-14)11-12-20(18,19)16-9-5-2-6-10-16;/h1-12,15H,13,17H2;1H/b12-11+;/t15-;/m1./s1