N-[3-(4-fluorophenyl)sulfanylpropyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-[(4-fluorophenyl)thio]propyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-[(4-fluorophenyl)thio]propyl]-4-pyrrolidinosulfonyl-benzamide Formula: C20H23FN2O3S2 MolecularWeight: 422.536623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCSC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN2O3S2/c21-17-6-8-18(9-7-17)27-15-3-12-22-20(24)16-4-10-19(11-5-16)28(25,26)23-13-1-2-14-23/h4-11H,1-3,12-15H2,(H,22,24)