N,N-diethyl-1-(2-methoxyphenyl)-2-prop-2-enylsulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: N,N-diethyl-1-(2-methoxyphenyl)-2-prop-2-enylsulfanyl-benzimidazole-5-sulfonamide Openeye Name: 2-allylsulfanyl-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-1-(2-methoxyphenyl)-2-(prop-2-enylthio)-5-benzimidazolesulfonamide IUPAC Name: N,N-diethyl-1-(2-methoxyphenyl)-2-prop-2-enylsulfanylbenzimidazole-5-sulfonamide Traditional Name: 2-(allylthio)-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC=C)C3=CC=CC=C3OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC=C)C3=CC=CC=C3OC

InChI

InChI=1S/C21H25N3O3S2/c1-5-14-28-21-22-17-15-16(29(25,26)23(6-2)7-3)12-13-18(17)24(21)19-10-8-9-11-20(19)27-4/h5,8-13,15H,1,6-7,14H2,2-4H3