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

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-1-methyl-N-pentylsulfonyl-indazol-1-ium-3-carboxamide Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-1-methyl-N-pentylsulfonyl-indazol-1-ium-3-carboxamide CAS Name: 1-[(2,4-dichlorophenyl)methyl]-1-methyl-N-pentylsulfonyl-3-indazol-1-iumcarboxamide IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-1-methyl-N-pentylsulfonylindazol-1-ium-3-carboxamide Traditional Name: N-amylsulfonyl-1-(2,4-dichlorobenzyl)-1-methyl-indazol-1-ium-3-carboxamide Formula: C21H24Cl2N3O3S+ MolecularWeight: 469.40456

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2N3O3S/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