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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-methylsulfonyl-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-methylsulfonyl-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-methylsulfonyl-2-(4-thiazolylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-4-methylsulfonyl-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-mesyl-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CSC=N3)C(=O)O)S(=O)(=O)C)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CSC=N3)C(=O)O)S(=O)(=O)C)OC

InChI

InChI=1S/C22H29N3O6S2/c1-21(2,3)17-7-6-15(10-18(17)31-4)19(26)25-9-8-24(33(5,29)30)13-22(25,20(27)28)11-16-12-32-14-23-16/h6-7,10,12,14H,8-9,11,13H2,1-5H3,(H,27,28)