2-azanyl-3-[3,5-bis(bromanyl)-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3,5-bis(bromanyl)-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[3,5-dibromo-4-[[3-(4-pyridylsulfonyl)-1H-indol-5-yl]oxy]phenyl]propanoic acid CAS Name: 2-amino-3-[3,5-dibromo-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3,5-dibromo-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]propanoic acid Traditional Name: 2-amino-3-[3,5-dibromo-4-[[3-(4-pyridylsulfonyl)-1H-indol-5-yl]oxy]phenyl]propionic acid Formula: C22H17Br2N3O5S MolecularWeight: 595.26048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OC3=C(C=C(C=C3Br)CC(C(=O)O)N)Br)C(=CN2)S(=O)(=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC2=C(C=C1OC3=C(C=C(C=C3Br)CC(C(=O)O)N)Br)C(=CN2)S(=O)(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H17Br2N3O5S/c23-16-7-12(9-18(25)22(28)29)8-17(24)21(16)32-13-1-2-19-15(10-13)20(11-27-19)33(30,31)14-3-5-26-6-4-14/h1-8,10-11,18,27H,9,25H2,(H,28,29)