3-[3-(4-azidophenyl)sulfonyl-1-[(4-iodophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-(4-azidophenyl)sulfonyl-1-[(4-iodophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-(4-azidophenyl)sulfonyl-1-[(4-iodophenyl)methyl]-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(4-azidophenyl)sulfonyl-1-[(4-iodophenyl)methyl]-5-(2-quinolinylmethoxy)-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-(4-azidophenyl)sulfonyl-1-[(4-iodophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(4-azidophenyl)sulfonyl-1-(4-iodobenzyl)-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C36H30IN5O5S MolecularWeight: 771.62337

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(C2=C(N1CC3=CC=C(C=C3)I)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)S(=O)(=O)C6=CC=C(C=C6)N=[N+]=[N-])C(=O)O

Isomeric SMILES

CC(C)(CC1=C(C2=C(N1CC3=CC=C(C=C3)I)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)S(=O)(=O)C6=CC=C(C=C6)N=[N+]=[N-])C(=O)O

InChI

InChI=1S/C36H30IN5O5S/c1-36(2,35(43)44)20-33-34(48(45,46)29-16-13-26(14-17-29)40-41-38)30-19-28(47-22-27-12-9-24-5-3-4-6-31(24)39-27)15-18-32(30)42(33)21-23-7-10-25(37)11-8-23/h3-19H,20-22H2,1-2H3,(H,43,44)