1-[4-[(2-methylpyridin-3-yl)methoxy]phenyl]sulfonyl-4-methylsulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[4-[(2-methylpyridin-3-yl)methoxy]phenyl]sulfonyl-4-methylsulfonyl-piperazine-2-carboxylic acid Openeye Name: 1-[4-[(2-methyl-3-pyridyl)methoxy]phenyl]sulfonyl-4-methylsulfonyl-piperazine-2-carboxylic acid CAS Name: 1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonyl-4-methylsulfonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[4-[(2-methylpyridin-3-yl)methoxy]phenyl]sulfonyl-4-methylsulfonylpiperazine-2-carboxylic acid Traditional Name: 4-mesyl-1-[4-[(2-methyl-3-pyridyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C19H23N3O7S2 MolecularWeight: 469.53182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)COC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=N1)COC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C19H23N3O7S2/c1-14-15(4-3-9-20-14)13-29-16-5-7-17(8-6-16)31(27,28)22-11-10-21(30(2,25)26)12-18(22)19(23)24/h3-9,18H,10-13H2,1-2H3,(H,23,24)