N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-phenyl-methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-phenyl-methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[[1,3-bis(2,6-diisopropylphenyl)imidazol-1-ium-2-yl]-phenyl-methyl]-4-methyl-benzenesulfonamide CAS Name: N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-imidazol-1-iumyl]-phenylmethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide Traditional Name: N-[[1,3-bis(2,6-diisopropylphenyl)imidazol-1-ium-2-yl]-phenyl-methyl]-4-methyl-benzenesulfonamide Formula: C41H50N3O2S+ MolecularWeight: 648.9196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C3=[N+](C=CN3C4=C(C=CC=C4C(C)C)C(C)C)C5=C(C=CC=C5C(C)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C3=[N+](C=CN3C4=C(C=CC=C4C(C)C)C(C)C)C5=C(C=CC=C5C(C)C)C(C)C

InChI

InChI=1S/C41H50N3O2S/c1-27(2)34-17-13-18-35(28(3)4)39(34)43-25-26-44(40-36(29(5)6)19-14-20-37(40)30(7)8)41(43)38(32-15-11-10-12-16-32)42-47(45,46)33-23-21-31(9)22-24-33/h10-30,38,42H,1-9H3/q+1