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

Systemtic Name: 1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-4-ethanoyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-[4-(2,5-dimethylbenzyl)oxyphenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3C(=O)O)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3C(=O)O)C(=O)C

InChI

InChI=1S/C22H26N2O6S/c1-15-4-5-16(2)18(12-15)14-30-19-6-8-20(9-7-19)31(28,29)24-11-10-23(17(3)25)13-21(24)22(26)27/h4-9,12,21H,10-11,13-14H2,1-3H3,(H,26,27)