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

Systemtic Name: 4-ethanoyl-3-methyl-1-[4-[(2-methylpyridin-3-yl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-3-methyl-1-[4-[(2-methyl-3-pyridyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-3-methyl-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-3-methyl-1-[4-[(2-methylpyridin-3-yl)methoxy]phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-3-methyl-1-[4-[(2-methyl-3-pyridyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(N=CC=C3)C)C(=O)O

Isomeric SMILES

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(N=CC=C3)C)C(=O)O

InChI

InChI=1S/C21H25N3O6S/c1-14-17(5-4-10-22-14)13-30-18-6-8-19(9-7-18)31(28,29)24-12-11-23(16(3)25)15(2)20(24)21(26)27/h4-10,15,20H,11-13H2,1-3H3,(H,26,27)