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

Systemtic Name: 3-methyl-1-[4-[(2-methylpyridin-3-yl)methoxy]phenyl]sulfonyl-4-methylsulfonyl-piperazine-2-carboxylic acid Openeye Name: 3-methyl-1-[4-[(2-methyl-3-pyridyl)methoxy]phenyl]sulfonyl-4-methylsulfonyl-piperazine-2-carboxylic acid CAS Name: 3-methyl-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonyl-4-methylsulfonyl-2-piperazinecarboxylic acid IUPAC Name: 3-methyl-1-[4-[(2-methylpyridin-3-yl)methoxy]phenyl]sulfonyl-4-methylsulfonylpiperazine-2-carboxylic acid Traditional Name: 4-mesyl-3-methyl-1-[4-[(2-methyl-3-pyridyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C20H25N3O7S2 MolecularWeight: 483.5584

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(N=CC=C3)C)C(=O)O

Isomeric SMILES

CC1C(N(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(N=CC=C3)C)C(=O)O

InChI

InChI=1S/C20H25N3O7S2/c1-14-16(5-4-10-21-14)13-30-17-6-8-18(9-7-17)32(28,29)23-12-11-22(31(3,26)27)15(2)19(23)20(24)25/h4-10,15,19H,11-13H2,1-3H3,(H,24,25)