N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[1-(furan-3-carbonyl)-4-piperidyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[1-[3-furanyl(oxo)methyl]-4-piperidinyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[1-(3-furoyl)-4-piperidyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCN(CC1)C(=O)C2=COC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CCN(CC1)C(=O)C2=COC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-13(28-17-4-2-16(3-5-17)22(25)26)18(23)20-15-6-9-21(10-7-15)19(24)14-8-11-27-12-14/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,20,23)