N-[2-(furan-2-yl)-2-pyrrolidin-1-yl-ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-benzamide

Systemtic Name: N-[2-(furan-2-yl)-2-pyrrolidin-1-yl-ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-benzamide Openeye Name: N-[2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-benzamide CAS Name: N-[2-(2-furanyl)-2-(1-pyrrolidinyl)ethyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzamide IUPAC Name: N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzamide Traditional Name: N-[2-(2-furyl)-2-pyrrolidino-ethyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzamide Formula: C24H22F3N3O4S MolecularWeight: 505.50939

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C24H22F3N3O4S/c25-24(26,27)16-9-10-22(18(14-16)30(32)33)35-21-8-2-1-6-17(21)23(31)28-15-19(20-7-5-13-34-20)29-11-3-4-12-29/h1-2,5-10,13-14,19H,3-4,11-12,15H2,(H,28,31)