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

Systemtic Name: 3-methyl-1-[4-[(2-methylpyridin-3-yl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 3-methyl-1-[4-[(2-methyl-3-pyridyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 3-methyl-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 3-methyl-1-[4-[(2-methylpyridin-3-yl)methoxy]phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 3-methyl-1-[4-[(2-methyl-3-pyridyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(N=CC=C3)C)C(=O)O

Isomeric SMILES

CC1C(N(CCN1)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(N=CC=C3)C)C(=O)O

InChI

InChI=1S/C19H23N3O5S/c1-13-15(4-3-9-20-13)12-27-16-5-7-17(8-6-16)28(25,26)22-11-10-21-14(2)18(22)19(23)24/h3-9,14,18,21H,10-12H2,1-2H3,(H,23,24)