3-[3-(4-azidophenyl)sulfonyl-1-[(3-iodanyl-4-oxidanyl-phenyl)methyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-(4-azidophenyl)sulfonyl-1-[(3-iodanyl-4-oxidanyl-phenyl)methyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-(4-azidophenyl)sulfonyl-1-[(4-hydroxy-3-iodo-phenyl)methyl]-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(4-azidophenyl)sulfonyl-1-[(4-hydroxy-3-iodophenyl)methyl]-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-(4-azidophenyl)sulfonyl-1-[(4-hydroxy-3-iodophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(4-azidophenyl)sulfonyl-1-(4-hydroxy-3-iodo-benzyl)-5-isopropyl-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C29H29IN4O5S MolecularWeight: 672.53383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=C2S(=O)(=O)C3=CC=C(C=C3)N=[N+]=[N-])CC(C)(C)C(=O)O)CC4=CC(=C(C=C4)O)I

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=C2S(=O)(=O)C3=CC=C(C=C3)N=[N+]=[N-])CC(C)(C)C(=O)O)CC4=CC(=C(C=C4)O)I

InChI

InChI=1S/C29H29IN4O5S/c1-17(2)19-6-11-24-22(14-19)27(40(38,39)21-9-7-20(8-10-21)32-33-31)25(15-29(3,4)28(36)37)34(24)16-18-5-12-26(35)23(30)13-18/h5-14,17,35H,15-16H2,1-4H3,(H,36,37)