1-[(4-bromanyl-2-chloranyl-phenyl)methyl]-1-methyl-N-pentylsulfonyl-indazol-1-ium-3-carboxamide

Systemtic Name: 1-[(4-bromanyl-2-chloranyl-phenyl)methyl]-1-methyl-N-pentylsulfonyl-indazol-1-ium-3-carboxamide Openeye Name: 1-[(4-bromo-2-chloro-phenyl)methyl]-1-methyl-N-pentylsulfonyl-indazol-1-ium-3-carboxamide CAS Name: 1-[(4-bromo-2-chlorophenyl)methyl]-1-methyl-N-pentylsulfonyl-3-indazol-1-iumcarboxamide IUPAC Name: 1-[(4-bromo-2-chlorophenyl)methyl]-1-methyl-N-pentylsulfonylindazol-1-ium-3-carboxamide Traditional Name: N-amylsulfonyl-1-(4-bromo-2-chloro-benzyl)-1-methyl-indazol-1-ium-3-carboxamide Formula: C21H24BrClN3O3S+ MolecularWeight: 513.85556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC(=O)C1=N[N+](C2=CC=CC=C21)(C)CC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=N[N+](C2=CC=CC=C21)(C)CC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C21H23BrClN3O3S/c1-3-4-7-12-30(28,29)25-21(27)20-17-8-5-6-9-19(17)26(2,24-20)14-15-10-11-16(22)13-18(15)23/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3/p+1