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

Systemtic Name: azidobenzene; 3-[1-[(3-iodanyl-4-oxidanyl-phenyl)methyl]-5-propan-2-yl-3-sulfonyl-2H-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: azidobenzene; 3-[1-[(4-hydroxy-3-iodo-phenyl)methyl]-5-isopropyl-3-sulfonyl-indolin-2-yl]-2,2-dimethyl-propanoic acid CAS Name: azidobenzene; 3-[1-[(4-hydroxy-3-iodophenyl)methyl]-5-propan-2-yl-3-sulfonyl-2H-indol-2-yl]-2,2-dimethylpropanoic acid IUPAC Name: azidobenzene; 3-[1-[(4-hydroxy-3-iodophenyl)methyl]-5-propan-2-yl-3-sulfonyl-2H-indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: azidobenzene; 3-[1-(4-hydroxy-3-iodo-benzyl)-5-isopropyl-3-sulfonyl-indolin-2-yl]-2,2-dimethyl-propionic acid Formula: C29H31IN4O5S MolecularWeight: 674.54971

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(C2=S(=O)=O)CC(C)(C)C(=O)O)CC3=CC(=C(C=C3)O)I.C1=CC=C(C=C1)N=[N+]=[N-]

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(C2=S(=O)=O)CC(C)(C)C(=O)O)CC3=CC(=C(C=C3)O)I.C1=CC=C(C=C1)N=[N+]=[N-]

InChI

InChI=1S/C23H26INO5S.C6H5N3/c1-13(2)15-6-7-18-16(10-15)21(31(29)30)19(11-23(3,4)22(27)28)25(18)12-14-5-8-20(26)17(24)9-14;7-9-8-6-4-2-1-3-5-6/h5-10,13,19,26H,11-12H2,1-4H3,(H,27,28);1-5H