1-(cyclopropylmethyl)-2-[(3-fluoranyl-4-methyl-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 1-(cyclopropylmethyl)-2-[(3-fluoranyl-4-methyl-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-(cyclopropylmethyl)-2-[(3-fluoro-4-methyl-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-benzimidazole CAS Name: 1-(cyclopropylmethyl)-2-[(3-fluoro-4-methylphenyl)methylthio]-5-(1-pyrrolidinylsulfonyl)benzimidazole IUPAC Name: 1-(cyclopropylmethyl)-2-[(3-fluoro-4-methylphenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylbenzimidazole Traditional Name: 1-(cyclopropylmethyl)-2-[(3-fluoro-4-methyl-benzyl)thio]-5-pyrrolidinosulfonyl-benzimidazole Formula: C23H26FN3O2S2 MolecularWeight: 459.599843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O2S2/c1-16-4-5-18(12-20(16)24)15-30-23-25-21-13-19(31(28,29)26-10-2-3-11-26)8-9-22(21)27(23)14-17-6-7-17/h4-5,8-9,12-13,17H,2-3,6-7,10-11,14-15H2,1H3