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

Systemtic Name: 4-ethanoyl-1-[4-[(2-methylpyridin-3-yl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-[4-[(2-methyl-3-pyridyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-[4-[(2-methylpyridin-3-yl)methoxy]phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-[4-[(2-methyl-3-pyridyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C20H23N3O6S MolecularWeight: 433.47812

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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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c1-14-16(4-3-9-21-14)13-29-17-5-7-18(8-6-17)30(27,28)23-11-10-22(15(2)24)12-19(23)20(25)26/h3-9,19H,10-13H2,1-2H3,(H,25,26)