4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(4-phenylphenyl)sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(4-phenylphenyl)sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-tert-butoxycarbonyl-1-(4-phenylphenyl)sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-(4-phenylphenyl)sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-tert-butoxycarbonyl-1-(4-phenylphenyl)sulfonyl-piperazine-2-carboxylic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O6S/c1-22(2,3)30-21(27)23-13-14-24(19(15-23)20(25)26)31(28,29)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,19H,13-15H2,1-3H3,(H,25,26)