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

Systemtic Name: 1-[4-(4-chloranylphenoxy)phenyl]sulfonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Openeye Name: 4-tert-butoxycarbonyl-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Traditional Name: 4-tert-butoxycarbonyl-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C22H25ClN2O7S MolecularWeight: 496.9611

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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)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O7S/c1-22(2,3)32-21(28)24-12-13-25(19(14-24)20(26)27)33(29,30)18-10-8-17(9-11-18)31-16-6-4-15(23)5-7-16/h4-11,19H,12-14H2,1-3H3,(H,26,27)