6-bromanyl-N-[1-(3-chloranylthiophen-2-yl)butan-2-yl]hexa-1,3,5-triyne-1-sulfonamide

Systemtic Name: 6-bromanyl-N-[1-(3-chloranylthiophen-2-yl)butan-2-yl]hexa-1,3,5-triyne-1-sulfonamide Openeye Name: 6-bromo-N-[1-[(3-chloro-2-thienyl)methyl]propyl]hexa-1,3,5-triyne-1-sulfonamide CAS Name: 6-bromo-N-[1-(3-chloro-2-thiophenyl)butan-2-yl]-1-hexa-1,3,5-triynesulfonamide IUPAC Name: 6-bromo-N-[1-(3-chlorothiophen-2-yl)butan-2-yl]hexa-1,3,5-triyne-1-sulfonamide Traditional Name: 6-bromo-N-[1-[(3-chloro-2-thienyl)methyl]propyl]hexa-1,3,5-triyne-1-sulfonamide Formula: C14H11BrClNO2S2 MolecularWeight: 404.72964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(C=CS1)Cl)NS(=O)(=O)C#CC#CC#CBr

Isomeric SMILES

CCC(CC1=C(C=CS1)Cl)NS(=O)(=O)C#CC#CC#CBr

InChI

InChI=1S/C14H11BrClNO2S2/c1-2-12(11-14-13(16)7-9-20-14)17-21(18,19)10-6-4-3-5-8-15/h7,9,12,17H,2,11H2,1H3