3-bromanyl-N-[4-(4-ethoxypyridin-2-yl)-3-[(E)-5-phenylhept-1-enyl]sulfanyl-1H-pyrazol-5-yl]benzenesulfonamide

Systemtic Name: 3-bromanyl-N-[4-(4-ethoxypyridin-2-yl)-3-[(E)-5-phenylhept-1-enyl]sulfanyl-1H-pyrazol-5-yl]benzenesulfonamide Openeye Name: 3-bromo-N-[4-(4-ethoxy-2-pyridyl)-3-[(E)-5-phenylhept-1-enyl]sulfanyl-1H-pyrazol-5-yl]benzenesulfonamide CAS Name: 3-bromo-N-[4-(4-ethoxy-2-pyridinyl)-3-[[(E)-5-phenylhept-1-enyl]thio]-1H-pyrazol-5-yl]benzenesulfonamide IUPAC Name: 3-bromo-N-[4-(4-ethoxypyridin-2-yl)-3-[(E)-5-phenylhept-1-enyl]sulfanyl-1H-pyrazol-5-yl]benzenesulfonamide Traditional Name: 3-bromo-N-[4-(4-ethoxy-2-pyridyl)-3-[[(E)-5-phenylhept-1-enyl]thio]-1H-pyrazol-5-yl]benzenesulfonamide Formula: C29H31BrN4O3S2 MolecularWeight: 627.61544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC=CSC1=NNC(=C1C2=NC=CC(=C2)OCC)NS(=O)(=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCC(CC/C=C/SC1=NNC(=C1C2=NC=CC(=C2)OCC)NS(=O)(=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C29H31BrN4O3S2/c1-3-21(22-12-6-5-7-13-22)11-8-9-18-38-29-27(26-20-24(37-4-2)16-17-31-26)28(32-33-29)34-39(35,36)25-15-10-14-23(30)19-25/h5-7,9-10,12-21H,3-4,8,11H2,1-2H3,(H2,32,33,34)/b18-9+