1-(cyclopropylmethyl)-2-[(4-fluoranyl-2-methyl-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 1-(cyclopropylmethyl)-2-[(4-fluoranyl-2-methyl-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-(cyclopropylmethyl)-2-[(4-fluoro-2-methyl-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-benzimidazole CAS Name: 1-(cyclopropylmethyl)-2-[(4-fluoro-2-methylphenyl)methylthio]-5-(1-pyrrolidinylsulfonyl)benzimidazole IUPAC Name: 1-(cyclopropylmethyl)-2-[(4-fluoro-2-methylphenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylbenzimidazole Traditional Name: 1-(cyclopropylmethyl)-2-[(4-fluoro-2-methyl-benzyl)thio]-5-pyrrolidinosulfonyl-benzimidazole Formula: C23H26FN3O2S2 MolecularWeight: 459.599843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)CSC2=NC3=C(N2CC4CC4)C=CC(=C3)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)F)CSC2=NC3=C(N2CC4CC4)C=CC(=C3)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C23H26FN3O2S2/c1-16-12-19(24)7-6-18(16)15-30-23-25-21-13-20(31(28,29)26-10-2-3-11-26)8-9-22(21)27(23)14-17-4-5-17/h6-9,12-13,17H,2-5,10-11,14-15H2,1H3