5-bromanyl-N-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[2-(diethylamino)-5-(1-piperidylsulfonyl)phenyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[2-(diethylamino)-5-(1-piperidinylsulfonyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[2-(diethylamino)-5-piperidinosulfonyl-phenyl]nicotinamide Formula: C21H27BrN4O3S MolecularWeight: 495.43308

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C21H27BrN4O3S/c1-3-25(4-2)20-9-8-18(30(28,29)26-10-6-5-7-11-26)13-19(20)24-21(27)16-12-17(22)15-23-14-16/h8-9,12-15H,3-7,10-11H2,1-2H3,(H,24,27)