azetidine-2-carboxylic acid; (2R)-3-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)propanoic acid

Systemtic Name: azetidine-2-carboxylic acid; (2R)-3-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)propanoic acid Openeye Name: azetidine-2-carboxylic acid; (2R)-3-methylsulfonyl-2-(2-naphthylsulfonylamino)propanoic acid CAS Name: 2-azetidinecarboxylic acid; (2R)-3-methylsulfonyl-2-(2-naphthalenylsulfonylamino)propanoic acid IUPAC Name: azetidine-2-carboxylic acid; (2R)-3-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)propanoic acid Traditional Name: azetidine-2-carboxylic acid; (2R)-3-mesyl-2-(2-naphthylsulfonylamino)propionic acid Formula: C18H22N2O8S2 MolecularWeight: 458.50588

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C(=O)O)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1.C1CNC1C(=O)O

Isomeric SMILES

CS(=O)(=O)C[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1.C1CNC1C(=O)O

InChI

InChI=1S/C14H15NO6S2.C4H7NO2/c1-22(18,19)9-13(14(16)17)15-23(20,21)12-7-6-10-4-2-3-5-11(10)8-12;6-4(7)3-1-2-5-3/h2-8,13,15H,9H2,1H3,(H,16,17);3,5H,1-2H2,(H,6,7)/t13-;/m0./s1