2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-3H-1,2-oxazole hydrate

Systemtic Name: 2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-3H-1,2-oxazole hydrate Openeye Name: 2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-3H-isoxazole hydrate CAS Name: 2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-3H-isoxazole hydrate IUPAC Name: 2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-3H-1,2-oxazole hydrate Traditional Name: 5-(4-mesylphenyl)-2-methyl-4-phenyl-4-isoxazoline hydrate Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3.O

Isomeric SMILES

CN1CC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3.O

InChI

InChI=1S/C17H17NO3S.H2O/c1-18-12-16(13-6-4-3-5-7-13)17(21-18)14-8-10-15(11-9-14)22(2,19)20;/h3-11H,12H2,1-2H3;1H2