N,N-diethyl-2-(naphthalen-2-ylmethylsulfanyl)-1-(oxolan-2-ylmethyl)benzimidazole-5-sulfonamide

Systemtic Name: N,N-diethyl-2-(naphthalen-2-ylmethylsulfanyl)-1-(oxolan-2-ylmethyl)benzimidazole-5-sulfonamide Openeye Name: N,N-diethyl-2-(2-naphthylmethylsulfanyl)-1-(tetrahydrofuran-2-ylmethyl)benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-2-(2-naphthalenylmethylthio)-1-(2-oxolanylmethyl)-5-benzimidazolesulfonamide IUPAC Name: N,N-diethyl-2-(naphthalen-2-ylmethylsulfanyl)-1-(oxolan-2-ylmethyl)benzimidazole-5-sulfonamide Traditional Name: N,N-diethyl-2-(2-naphthylmethylthio)-1-(tetrahydrofurfuryl)benzimidazole-5-sulfonamide Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC4=CC=CC=C4C=C3)CC5CCCO5

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC4=CC=CC=C4C=C3)CC5CCCO5

InChI

InChI=1S/C27H31N3O3S2/c1-3-29(4-2)35(31,32)24-13-14-26-25(17-24)28-27(30(26)18-23-10-7-15-33-23)34-19-20-11-12-21-8-5-6-9-22(21)16-20/h5-6,8-9,11-14,16-17,23H,3-4,7,10,15,18-19H2,1-2H3