N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-3-nitro-4-phenylsulfanyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-3-nitro-4-phenylsulfanyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-3-nitro-4-phenylsulfanyl-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-3-nitro-4-(phenylthio)benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-3-nitro-4-phenylsulfanylbenzamide Traditional Name: N-(4-fluorophenyl)-3-nitro-4-(phenylthio)-N-piperonyl-benzamide Formula: C27H19FN2O5S MolecularWeight: 502.513563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(C3=CC=C(C=C3)F)C(=O)C4=CC(=C(C=C4)SC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(C3=CC=C(C=C3)F)C(=O)C4=CC(=C(C=C4)SC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H19FN2O5S/c28-20-8-10-21(11-9-20)29(16-18-6-12-24-25(14-18)35-17-34-24)27(31)19-7-13-26(23(15-19)30(32)33)36-22-4-2-1-3-5-22/h1-15H,16-17H2