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

Systemtic Name: 3-[5-(4-chloranylbutyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-4-methylsulfonyl-benzoic acid Openeye Name: 3-[5-(4-chlorobutyl)-4,5-dihydroisoxazol-3-yl]-2-methyl-4-methylsulfonyl-benzoic acid CAS Name: 3-[5-(4-chlorobutyl)-4,5-dihydroisoxazol-3-yl]-2-methyl-4-methylsulfonylbenzoic acid IUPAC Name: 3-[5-(4-chlorobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-4-methylsulfonylbenzoic acid Traditional Name: 3-[5-(4-chlorobutyl)-2-isoxazolin-3-yl]-4-mesyl-2-methyl-benzoic acid Formula: C16H20ClNO5S MolecularWeight: 373.8517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=NOC(C2)CCCCCl)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C2=NOC(C2)CCCCCl)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C16H20ClNO5S/c1-10-12(16(19)20)6-7-14(24(2,21)22)15(10)13-9-11(23-18-13)5-3-4-8-17/h6-7,11H,3-5,8-9H2,1-2H3,(H,19,20)