(phenylmethyl) (2S)-2-azanyl-3-(3-methylsulfonylphenyl)propanoate hydrochloride

Systemtic Name: (phenylmethyl) (2S)-2-azanyl-3-(3-methylsulfonylphenyl)propanoate hydrochloride Openeye Name: benzyl (2S)-2-amino-3-(3-methylsulfonylphenyl)propanoate hydrochloride CAS Name: (2S)-2-amino-3-(3-methylsulfonylphenyl)propanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl (2S)-2-amino-3-(3-methylsulfonylphenyl)propanoate hydrochloride Traditional Name: (2S)-2-amino-3-(3-mesylphenyl)propionic acid benzyl ester hydrochloride Formula: C17H20ClNO4S MolecularWeight: 369.863

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)CC(C(=O)OCC2=CC=CC=C2)N.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)N.Cl

InChI

InChI=1S/C17H19NO4S.ClH/c1-23(20,21)15-9-5-8-14(10-15)11-16(18)17(19)22-12-13-6-3-2-4-7-13;/h2-10,16H,11-12,18H2,1H3;1H/t16-;/m0./s1