1-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-pentylsulfonyl-indazol-1-ium-3-carboxamide

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-pentylsulfonyl-indazol-1-ium-3-carboxamide Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-pentylsulfonyl-indazol-1-ium-3-carboxamide CAS Name: 1-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-pentylsulfonyl-3-indazol-1-iumcarboxamide IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-pentylsulfonylindazol-1-ium-3-carboxamide Traditional Name: N-amylsulfonyl-1-(2,4-dichlorobenzyl)-1-ethyl-indazol-1-ium-3-carboxamide Formula: C22H26Cl2N3O3S+ MolecularWeight: 483.43114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25Cl2N3O3S/c1-3-5-8-13-31(29,30)26-22(28)21-18-9-6-7-10-20(18)27(4-2,25-21)15-16-11-12-17(23)14-19(16)24/h6-7,9-12,14H,3-5,8,13,15H2,1-2H3/p+1