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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)thio]-N-(4-fluorophenyl)-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)-3-nitrobenzamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(4-fluorophenyl)-3-nitro-N-piperonyl-benzamide Formula: C27H18ClFN2O5S MolecularWeight: 536.958623

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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=C(C=C5)Cl)[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=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H18ClFN2O5S/c28-19-3-9-22(10-4-19)37-26-12-2-18(14-23(26)31(33)34)27(32)30(21-7-5-20(29)6-8-21)15-17-1-11-24-25(13-17)36-16-35-24/h1-14H,15-16H2