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

Systemtic Name: 4-ethanoyl-3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-3-methyl-1-[4-(o-tolylmethoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-3-methyl-1-[4-(2-methylbenzyl)oxyphenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C)C(=O)O

Isomeric SMILES

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C)C(=O)O

InChI

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