2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide Openeye Name: 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonyl-anilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide CAS Name: 2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonylanilino)-N-[3-(1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide Traditional Name: 2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonyl-anilino)-N-(3-pyrrolidinopropyl)acetamide Formula: C22H28FN3O3S2 MolecularWeight: 465.604423

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCC2)C3=CC(=CC=C3)F

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCC2)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H28FN3O3S2/c1-30-20-8-10-21(11-9-20)31(28,29)26(19-7-4-6-18(23)16-19)17-22(27)24-12-5-15-25-13-2-3-14-25/h4,6-11,16H,2-3,5,12-15,17H2,1H3,(H,24,27)