5-bromanyl-N-[3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[3-[methylsulfonyl(3-pyridylmethyl)amino]propyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[3-[methylsulfonyl(3-pyridinylmethyl)amino]propyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[3-[mesyl(3-pyridylmethyl)amino]propyl]nicotinamide Formula: C16H19BrN4O3S MolecularWeight: 427.31606

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCNC(=O)C1=CC(=CN=C1)Br)CC2=CN=CC=C2

Isomeric SMILES

CS(=O)(=O)N(CCCNC(=O)C1=CC(=CN=C1)Br)CC2=CN=CC=C2

InChI

InChI=1S/C16H19BrN4O3S/c1-25(23,24)21(12-13-4-2-5-18-9-13)7-3-6-20-16(22)14-8-15(17)11-19-10-14/h2,4-5,8-11H,3,6-7,12H2,1H3,(H,20,22)