1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-6-(ethylamino)-N-propylsulfonyl-2H-pyridine-3-carboxamide

Systemtic Name: 1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-6-(ethylamino)-N-propylsulfonyl-2H-pyridine-3-carboxamide Openeye Name: 1-[(2-benzyloxy-5-bromo-phenyl)methyl]-6-(ethylamino)-N-propylsulfonyl-2H-pyridine-3-carboxamide CAS Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-(ethylamino)-N-propylsulfonyl-2H-pyridine-3-carboxamide IUPAC Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-(ethylamino)-N-propylsulfonyl-2H-pyridine-3-carboxamide Traditional Name: 1-(2-benzoxy-5-bromo-benzyl)-6-(ethylamino)-N-propylsulfonyl-2H-pyridine-3-carboxamide Formula: C25H30BrN3O4S MolecularWeight: 548.4924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30BrN3O4S/c1-3-14-34(31,32)28-25(30)20-10-13-24(27-4-2)29(16-20)17-21-15-22(26)11-12-23(21)33-18-19-8-6-5-7-9-19/h5-13,15,27H,3-4,14,16-18H2,1-2H3,(H,28,30)