3-(1-butyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)-N-(5-fluoranyl-2-methyl-phenyl)propanamide

Systemtic Name: 3-(1-butyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)-N-(5-fluoranyl-2-methyl-phenyl)propanamide Openeye Name: 3-(1-butyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)-N-(5-fluoro-2-methyl-phenyl)propanamide CAS Name: 3-[1-butyl-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]-N-(5-fluoro-2-methylphenyl)propanamide IUPAC Name: 3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(5-fluoro-2-methylphenyl)propanamide Traditional Name: 3-(1-butyl-5-pyrrolidinosulfonyl-benzimidazol-2-yl)-N-(5-fluoro-2-methyl-phenyl)propionamide Formula: C25H31FN4O3S MolecularWeight: 486.602043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)NC4=C(C=CC(=C4)F)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)NC4=C(C=CC(=C4)F)C

InChI

InChI=1S/C25H31FN4O3S/c1-3-4-15-30-23-10-9-20(34(32,33)29-13-5-6-14-29)17-22(23)27-24(30)11-12-25(31)28-21-16-19(26)8-7-18(21)2/h7-10,16-17H,3-6,11-15H2,1-2H3,(H,28,31)