N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-5-nitro-2-pyrrolidino-benzamide Formula: C20H22FN3O3S MolecularWeight: 403.470383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCSCC3=CC=CC=C3F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCSCC3=CC=CC=C3F

InChI

InChI=1S/C20H22FN3O3S/c21-18-6-2-1-5-15(18)14-28-12-9-22-20(25)17-13-16(24(26)27)7-8-19(17)23-10-3-4-11-23/h1-2,5-8,13H,3-4,9-12,14H2,(H,22,25)