2-azanyl-3-[2-(2,4,6-trimethylphenyl)sulfonylphenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(2,4,6-trimethylphenyl)sulfonylphenyl]propanoic acid Openeye Name: 2-amino-3-[2-(2,4,6-trimethylphenyl)sulfonylphenyl]propanoic acid CAS Name: 2-amino-3-[2-(2,4,6-trimethylphenyl)sulfonylphenyl]propanoic acid IUPAC Name: 2-amino-3-[2-(2,4,6-trimethylphenyl)sulfonylphenyl]propanoic acid Traditional Name: 2-amino-3-(2-mesitylsulfonylphenyl)propionic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=CC=CC=C2CC(C(=O)O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=CC=CC=C2CC(C(=O)O)N)C

InChI

InChI=1S/C18H21NO4S/c1-11-8-12(2)17(13(3)9-11)24(22,23)16-7-5-4-6-14(16)10-15(19)18(20)21/h4-9,15H,10,19H2,1-3H3,(H,20,21)