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

Systemtic Name: 2-azanyl-2-[3,5-bis(bromanyl)-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]ethanoic acid Openeye Name: 2-amino-2-[3,5-dibromo-4-[[3-(4-pyridylsulfonyl)-1H-indol-5-yl]oxy]phenyl]acetic acid CAS Name: 2-amino-2-[3,5-dibromo-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]acetic acid IUPAC Name: 2-amino-2-[3,5-dibromo-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]acetic acid Traditional Name: 2-amino-2-[3,5-dibromo-4-[[3-(4-pyridylsulfonyl)-1H-indol-5-yl]oxy]phenyl]acetic acid Formula: C21H15Br2N3O5S MolecularWeight: 581.2339

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H15Br2N3O5S/c22-15-7-11(19(24)21(27)28)8-16(23)20(15)31-12-1-2-17-14(9-12)18(10-26-17)32(29,30)13-3-5-25-6-4-13/h1-10,19,26H,24H2,(H,27,28)