4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]sulfonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

Systemtic Name: 4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]sulfonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-[4-[4-(4-dibenzofuranyl)phenyl]phenyl]sulfonyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]sulfonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C34H32N2O7S MolecularWeight: 612.69208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=CC5=C4OC6=CC=CC=C56

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=CC5=C4OC6=CC=CC=C56

InChI

InChI=1S/C34H32N2O7S/c1-34(2,3)43-33(39)36-20-19-35(21-29(36)32(37)38)44(40,41)25-17-15-23(16-18-25)22-11-13-24(14-12-22)26-8-6-9-28-27-7-4-5-10-30(27)42-31(26)28/h4-18,29H,19-21H2,1-3H3,(H,37,38)