4-fluoranyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-fluoranyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-fluoro-N-methyl-N-[[4-(methylthio)phenyl]methyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-fluoro-N-methyl-N-[4-(methylthio)benzyl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H23FN2O3S2 MolecularWeight: 422.536623

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H23FN2O3S2/c1-22(14-15-5-8-17(27-2)9-6-15)20(24)16-7-10-18(21)19(13-16)28(25,26)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3