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

Systemtic Name: 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-N-propylsulfonyl-pyridine-3-carboxamide Openeye Name: 6-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]-N-propylsulfonyl-pyridine-3-carboxamide CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-N-propylsulfonyl-3-pyridinecarboxamide IUPAC Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-N-propylsulfonylpyridine-3-carboxamide Traditional Name: 6-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]-N-propylsulfonyl-nicotinamide Formula: C25H28BrN3O4S MolecularWeight: 546.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC(=O)C1=CN=C(C=C1)N(CC)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)NC(=O)C1=CN=C(C=C1)N(CC)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C25H28BrN3O4S/c1-3-14-34(31,32)28-25(30)20-10-13-24(27-16-20)29(4-2)17-21-15-22(26)11-12-23(21)33-18-19-8-6-5-7-9-19/h5-13,15-16H,3-4,14,17-18H2,1-2H3,(H,28,30)