sodium 1-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpyrrolidine-2-carboxylate

Systemtic Name: sodium 1-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpyrrolidine-2-carboxylate Openeye Name: sodium 1-[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonylpyrrolidine-2-carboxylate CAS Name: sodium 1-[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl-2-pyrrolidinecarboxylate IUPAC Name: sodium 1-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpyrrolidine-2-carboxylate Traditional Name: sodium 1-[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonylpyrrolidine-2-carboxylate Formula: C21H19N2NaO5S MolecularWeight: 434.44073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4C(=O)[O-].[Na+]

InChI

InChI=1S/C21H20N2O5S.Na/c1-14-19(20(22-28-14)16-6-3-2-4-7-16)15-9-11-17(12-10-15)29(26,27)23-13-5-8-18(23)21(24)25;/h2-4,6-7,9-12,18H,5,8,13H2,1H3,(H,24,25);/q;+1/p-1