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

Systemtic Name: 1-[(2-chloranyl-4-phenyl-phenyl)methyl]-1-methyl-N-pentylsulfonyl-indazol-1-ium-3-carboxamide Openeye Name: 1-[(2-chloro-4-phenyl-phenyl)methyl]-1-methyl-N-pentylsulfonyl-indazol-1-ium-3-carboxamide CAS Name: 1-[(2-chloro-4-phenylphenyl)methyl]-1-methyl-N-pentylsulfonyl-3-indazol-1-iumcarboxamide IUPAC Name: 1-[(2-chloro-4-phenylphenyl)methyl]-1-methyl-N-pentylsulfonylindazol-1-ium-3-carboxamide Traditional Name: N-amylsulfonyl-1-(2-chloro-4-phenyl-benzyl)-1-methyl-indazol-1-ium-3-carboxamide Formula: C27H29ClN3O3S+ MolecularWeight: 511.05546

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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)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=N[N+](C2=CC=CC=C21)(C)CC3=C(C=C(C=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H28ClN3O3S/c1-3-4-10-17-35(33,34)30-27(32)26-23-13-8-9-14-25(23)31(2,29-26)19-22-16-15-21(18-24(22)28)20-11-6-5-7-12-20/h5-9,11-16,18H,3-4,10,17,19H2,1-2H3/p+1