4-fluoranyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-fluoranyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-fluoro-N-[2-(p-tolylsulfanyl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-fluoro-N-[2-[(4-methylphenyl)thio]ethyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-fluoro-N-[2-(p-tolylthio)ethyl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H23FN2O3S2 MolecularWeight: 422.536623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O3S2/c1-15-4-7-17(8-5-15)27-13-10-22-20(24)16-6-9-18(21)19(14-16)28(25,26)23-11-2-3-12-23/h4-9,14H,2-3,10-13H2,1H3,(H,22,24)