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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(methylsulfonylmethyl)-2-(phenylmethyl)piperazine-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-(methylsulfonylmethyl)piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-(methylsulfonylmethyl)-2-(phenylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-4-(methylsulfonylmethyl)piperazine-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-(mesylmethyl)piperazine-2-carboxylic acid Formula: C26H34N2O6S MolecularWeight: 502.62296

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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)CS(=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)CS(=O)(=O)C)OC

InChI

InChI=1S/C26H34N2O6S/c1-25(2,3)21-12-11-20(15-22(21)34-4)23(29)28-14-13-27(18-35(5,32)33)17-26(28,24(30)31)16-19-9-7-6-8-10-19/h6-12,15H,13-14,16-18H2,1-5H3,(H,30,31)