2-chloranyl-4-methylsulfonyl-3-[5-(phenylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzoic acid

Systemtic Name: 2-chloranyl-4-methylsulfonyl-3-[5-(phenylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzoic acid Openeye Name: 3-(5-benzyl-4,5-dihydroisoxazol-3-yl)-2-chloro-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-4-methylsulfonyl-3-[5-(phenylmethyl)-4,5-dihydroisoxazol-3-yl]benzoic acid IUPAC Name: 3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-2-chloro-4-methylsulfonylbenzoic acid Traditional Name: 3-(5-benzyl-2-isoxazolin-3-yl)-2-chloro-4-mesyl-benzoic acid Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)C2=NOC(C2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)C2=NOC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H16ClNO5S/c1-26(23,24)15-8-7-13(18(21)22)17(19)16(15)14-10-12(25-20-14)9-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,21,22)