(2S)-2-azanyl-3-[3-(phenylcarbonyl)phenyl]propane-1-sulfonic acid

Systemtic Name: (2S)-2-azanyl-3-[3-(phenylcarbonyl)phenyl]propane-1-sulfonic acid Openeye Name: (2S)-2-amino-3-(3-benzoylphenyl)propane-1-sulfonic acid CAS Name: (2S)-2-amino-3-(3-benzoylphenyl)-1-propanesulfonic acid IUPAC Name: (2S)-2-amino-3-(3-benzoylphenyl)propane-1-sulfonic acid Traditional Name: (2S)-2-amino-3-(3-benzoylphenyl)propane-1-sulfonic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4S/c17-15(11-22(19,20)21)10-12-5-4-8-14(9-12)16(18)13-6-2-1-3-7-13/h1-9,15H,10-11,17H2,(H,19,20,21)/t15-/m0/s1