6-[[5-bromanyl-2-(2-chloranylprop-2-enoxy)phenyl]methyl-ethyl-amino]-N-propylsulfonyl-pyridine-3-carboxamide

Systemtic Name: 6-[[5-bromanyl-2-(2-chloranylprop-2-enoxy)phenyl]methyl-ethyl-amino]-N-propylsulfonyl-pyridine-3-carboxamide Openeye Name: 6-[[5-bromo-2-(2-chloroallyloxy)phenyl]methyl-ethyl-amino]-N-propylsulfonyl-pyridine-3-carboxamide CAS Name: 6-[[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methyl-ethylamino]-N-propylsulfonyl-3-pyridinecarboxamide IUPAC Name: 6-[[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methyl-ethylamino]-N-propylsulfonylpyridine-3-carboxamide Traditional Name: 6-[[5-bromo-2-(2-chloroallyloxy)benzyl]-ethyl-amino]-N-propylsulfonyl-nicotinamide Formula: C21H25BrClN3O4S MolecularWeight: 530.8629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC(=O)C1=CN=C(C=C1)N(CC)CC2=C(C=CC(=C2)Br)OCC(=C)Cl

Isomeric SMILES

CCCS(=O)(=O)NC(=O)C1=CN=C(C=C1)N(CC)CC2=C(C=CC(=C2)Br)OCC(=C)Cl

InChI

InChI=1S/C21H25BrClN3O4S/c1-4-10-31(28,29)25-21(27)16-6-9-20(24-12-16)26(5-2)13-17-11-18(22)7-8-19(17)30-14-15(3)23/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)