3,5-dimethyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 3,5-dimethyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 3,5-dimethyl-1-[4-(o-tolylmethoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 3,5-dimethyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 3,5-dimethyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 3,5-dimethyl-1-[4-(2-methylbenzyl)oxyphenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C(N1)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C

Isomeric SMILES

CC1CN(C(C(N1)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C

InChI

InChI=1S/C21H26N2O5S/c1-14-6-4-5-7-17(14)13-28-18-8-10-19(11-9-18)29(26,27)23-12-15(2)22-16(3)20(23)21(24)25/h4-11,15-16,20,22H,12-13H2,1-3H3,(H,24,25)