5-bromanyl-6-chloranyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide

Systemtic Name: 5-bromanyl-6-chloranyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide Openeye Name: 5-bromo-6-chloro-N-(2-cyanoethyl)-N-(3-pyridylmethyl)pyridine-3-sulfonamide CAS Name: 5-bromo-6-chloro-N-(2-cyanoethyl)-N-(3-pyridinylmethyl)-3-pyridinesulfonamide IUPAC Name: 5-bromo-6-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide Traditional Name: 5-bromo-6-chloro-N-(2-cyanoethyl)-N-(3-pyridylmethyl)pyridine-3-sulfonamide Formula: C14H12BrClN4O2S MolecularWeight: 415.69268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)S(=O)(=O)C2=CC(=C(N=C2)Cl)Br

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)S(=O)(=O)C2=CC(=C(N=C2)Cl)Br

InChI

InChI=1S/C14H12BrClN4O2S/c15-13-7-12(9-19-14(13)16)23(21,22)20(6-2-4-17)10-11-3-1-5-18-8-11/h1,3,5,7-9H,2,6,10H2