6-[(4-bromanyl-2-chloranyl-phenyl)methyl]-1-methyl-N-(phenylsulfonyl)indazol-1-ium-1-carboxamide

Systemtic Name: 6-[(4-bromanyl-2-chloranyl-phenyl)methyl]-1-methyl-N-(phenylsulfonyl)indazol-1-ium-1-carboxamide Openeye Name: N-(benzenesulfonyl)-6-[(4-bromo-2-chloro-phenyl)methyl]-1-methyl-indazol-1-ium-1-carboxamide CAS Name: N-(benzenesulfonyl)-6-[(4-bromo-2-chlorophenyl)methyl]-1-methyl-1-indazol-1-iumcarboxamide IUPAC Name: N-(benzenesulfonyl)-6-[(4-bromo-2-chlorophenyl)methyl]-1-methylindazol-1-ium-1-carboxamide Traditional Name: N-besyl-6-(4-bromo-2-chloro-benzyl)-1-methyl-indazol-1-ium-1-carboxamide Formula: C22H18BrClN3O3S+ MolecularWeight: 519.81862

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(C=CC(=C2)CC3=C(C=C(C=C3)Br)Cl)C=N1)C(=O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[N+]1(C2=C(C=CC(=C2)CC3=C(C=C(C=C3)Br)Cl)C=N1)C(=O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H17BrClN3O3S/c1-27(22(28)26-31(29,30)19-5-3-2-4-6-19)21-12-15(7-8-17(21)14-25-27)11-16-9-10-18(23)13-20(16)24/h2-10,12-14H,11H2,1H3/p+1