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

Systemtic Name: 2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C26H28FN3O3S2 MolecularWeight: 513.647223

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)C4=CC(=CC=C4)F

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)C4=CC(=CC=C4)F

InChI

InChI=1S/C26H28FN3O3S2/c1-34-24-11-13-25(14-12-24)35(32,33)30(23-6-4-5-21(27)17-23)19-26(31)28-18-20-7-9-22(10-8-20)29-15-2-3-16-29/h4-14,17H,2-3,15-16,18-19H2,1H3,(H,28,31)