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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-methylsulfonyl-2-(phenylmethyl)piperazine-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-methylsulfonyl-piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-methylsulfonyl-2-(phenylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-4-methylsulfonylpiperazine-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-mesyl-piperazine-2-carboxylic acid Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CC=CC=C3)C(=O)O)S(=O)(=O)C)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CC=CC=C3)C(=O)O)S(=O)(=O)C)OC

InChI

InChI=1S/C25H32N2O6S/c1-24(2,3)20-12-11-19(15-21(20)33-4)22(28)27-14-13-26(34(5,31)32)17-25(27,23(29)30)16-18-9-7-6-8-10-18/h6-12,15H,13-14,16-17H2,1-5H3,(H,29,30)