N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-nitrophenyl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-nitrophenyl)sulfanylethanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzamide Traditional Name: 2-[[2-[(4-nitrophenyl)thio]acetyl]amino]-N-piperonyl-benzamide Formula: C23H19N3O6S MolecularWeight: 465.47846

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)CSC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)CSC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O6S/c27-22(13-33-17-8-6-16(7-9-17)26(29)30)25-19-4-2-1-3-18(19)23(28)24-12-15-5-10-20-21(11-15)32-14-31-20/h1-11H,12-14H2,(H,24,28)(H,25,27)