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

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

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

Isomeric SMILES

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

InChI

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