5-[2-(5-bromanyl-3-pyrrolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-imidazol-5-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(5-bromanyl-3-pyrrolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-imidazol-5-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-(5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-imidazol-5-yl]-2-hydroxy-benzoic acid CAS Name: 5-[2-[5-bromo-3-(1-pyrrolidinylsulfonyl)-1H-indol-2-yl]-1H-imidazol-5-yl]-2-hydroxybenzoic acid IUPAC Name: 5-[2-(5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-imidazol-5-yl]-2-hydroxybenzoic acid Traditional Name: 5-[2-(5-bromo-3-pyrrolidinosulfonyl-1H-indol-2-yl)-1H-imidazol-5-yl]-2-hydroxy-benzoic acid Formula: C22H19BrN4O5S MolecularWeight: 531.37906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)C4=NC=C(N4)C5=CC(=C(C=C5)O)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)C4=NC=C(N4)C5=CC(=C(C=C5)O)C(=O)O

InChI

InChI=1S/C22H19BrN4O5S/c23-13-4-5-16-14(10-13)20(33(31,32)27-7-1-2-8-27)19(25-16)21-24-11-17(26-21)12-3-6-18(28)15(9-12)22(29)30/h3-6,9-11,25,28H,1-2,7-8H2,(H,24,26)(H,29,30)