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

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

CC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CCNC(C3C(=O)O)(C)C

Isomeric SMILES

CC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CCNC(C3C(=O)O)(C)C

InChI

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