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

Systemtic Name: 4-ethanoyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-[4-(o-tolylmethoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-[4-(2-methylbenzyl)oxyphenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3C(=O)O)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3C(=O)O)C(=O)C

InChI

InChI=1S/C21H24N2O6S/c1-15-5-3-4-6-17(15)14-29-18-7-9-19(10-8-18)30(27,28)23-12-11-22(16(2)24)13-20(23)21(25)26/h3-10,20H,11-14H2,1-2H3,(H,25,26)