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

Systemtic Name: 6-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methyl-ethyl-amino]-5-propylsulfonyl-pyridine-3-carboxamide Openeye Name: 6-[[5-bromo-2-(2-methylallyloxy)phenyl]methyl-ethyl-amino]-5-propylsulfonyl-pyridine-3-carboxamide CAS Name: 6-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]-5-propylsulfonyl-3-pyridinecarboxamide IUPAC Name: 6-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]-5-propylsulfonylpyridine-3-carboxamide Traditional Name: 6-[[5-bromo-2-(2-methylallyloxy)benzyl]-ethyl-amino]-5-propylsulfonyl-nicotinamide Formula: C22H28BrN3O4S MolecularWeight: 510.44442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrN3O4S/c1-5-9-31(28,29)20-11-16(21(24)27)12-25-22(20)26(6-2)13-17-10-18(23)7-8-19(17)30-14-15(3)4/h7-8,10-12H,3,5-6,9,13-14H2,1-2,4H3,(H2,24,27)