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

Systemtic Name: 6-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methyl-ethyl-amino]-N-(phenylsulfonyl)pyridine-3-carboxamide Openeye Name: N-(benzenesulfonyl)-6-[[5-bromo-2-(2-methylallyloxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxamide CAS Name: N-(benzenesulfonyl)-6-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]-3-pyridinecarboxamide IUPAC Name: N-(benzenesulfonyl)-6-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]pyridine-3-carboxamide Traditional Name: N-besyl-6-[[5-bromo-2-(2-methylallyloxy)benzyl]-ethyl-amino]nicotinamide Formula: C25H26BrN3O4S MolecularWeight: 544.46064

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC(=C)C)C2=NC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC(=C)C)C2=NC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H26BrN3O4S/c1-4-29(16-20-14-21(26)11-12-23(20)33-17-18(2)3)24-13-10-19(15-27-24)25(30)28-34(31,32)22-8-6-5-7-9-22/h5-15H,2,4,16-17H2,1,3H3,(H,28,30)