2-(4-chlorophenyl)sulfanyl-N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-5-nitro-benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[1-(furan-3-carbonyl)-4-piperidyl]-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[1-[3-furanyl(oxo)methyl]-4-piperidinyl]-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[1-(3-furoyl)-4-piperidyl]-5-nitro-benzamide Formula: C23H20ClN3O5S MolecularWeight: 485.94

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)C(=O)C4=COC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)C(=O)C4=COC=C4

InChI

InChI=1S/C23H20ClN3O5S/c24-16-1-4-19(5-2-16)33-21-6-3-18(27(30)31)13-20(21)22(28)25-17-7-10-26(11-8-17)23(29)15-9-12-32-14-15/h1-6,9,12-14,17H,7-8,10-11H2,(H,25,28)