1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-4-ethanoyl-3-methyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-4-ethanoyl-3-methyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-[4-(2,5-dimethylbenzyl)oxyphenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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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(C=CC(=C3)C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-15-5-6-16(2)19(13-15)14-31-20-7-9-21(10-8-20)32(29,30)25-12-11-24(18(4)26)17(3)22(25)23(27)28/h5-10,13,17,22H,11-12,14H2,1-4H3,(H,27,28)