1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-4-methylsulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-4-methylsulfonyl-piperazine-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-4-methylsulfonyl-piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(2-methylpropyl)-4-methylsulfonyl-2-piperazinecarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-2-(2-methylpropyl)-4-methylsulfonylpiperazine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-4-mesyl-piperazine-2-carboxylic acid Formula: C22H34N2O6S MolecularWeight: 454.58016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CN(CCN1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)CC1(CN(CCN1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C22H34N2O6S/c1-15(2)13-22(20(26)27)14-23(31(7,28)29)10-11-24(22)19(25)16-8-9-17(21(3,4)5)18(12-16)30-6/h8-9,12,15H,10-11,13-14H2,1-7H3,(H,26,27)