N-[1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridin-3-yl)oxy-propan-2-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridin-3-yl)oxy-propan-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[1-(1H-indol-3-ylmethyl)-2-[[5-(6-isoquinolyl)-3-pyridyl]oxy]ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[1-(1H-indol-3-yl)-3-[[5-(6-isoquinolinyl)-3-pyridinyl]oxy]propan-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridin-3-yl)oxypropan-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[1-(1H-indol-3-ylmethyl)-2-[[5-(6-isoquinolyl)-3-pyridyl]oxy]ethyl]-2-nitro-benzenesulfonamide Formula: C31H25N5O5S MolecularWeight: 579.6257

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CN=CC(=C3)C4=CC5=C(C=C4)C=NC=C5)NS(=O)(=O)C6=CC=CC=C6[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CN=CC(=C3)C4=CC5=C(C=C4)C=NC=C5)NS(=O)(=O)C6=CC=CC=C6[N+](=O)[O-]

InChI

InChI=1S/C31H25N5O5S/c37-36(38)30-7-3-4-8-31(30)42(39,40)35-26(14-25-18-34-29-6-2-1-5-28(25)29)20-41-27-15-24(17-33-19-27)21-9-10-23-16-32-12-11-22(23)13-21/h1-13,15-19,26,34-35H,14,20H2