4-chloranyl-N-[1-(4-phenyl-1,2,3-triazol-1-yl)octan-2-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[1-(4-phenyl-1,2,3-triazol-1-yl)octan-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[1-[(4-phenyltriazol-1-yl)methyl]heptyl]benzenesulfonamide CAS Name: 4-chloro-N-[1-(4-phenyl-1-triazolyl)octan-2-yl]benzenesulfonamide IUPAC Name: 4-chloro-N-[1-(4-phenyltriazol-1-yl)octan-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[1-[(4-phenyltriazol-1-yl)methyl]heptyl]benzenesulfonamide Formula: C22H27ClN4O2S MolecularWeight: 446.99338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CN1C=C(N=N1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCC(CN1C=C(N=N1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN4O2S/c1-2-3-4-8-11-20(25-30(28,29)21-14-12-19(23)13-15-21)16-27-17-22(24-26-27)18-9-6-5-7-10-18/h5-7,9-10,12-15,17,20,25H,2-4,8,11,16H2,1H3