N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(2-furyl)-2-(1-piperidyl)ethyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[2-(2-furanyl)-2-(1-piperidinyl)ethyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[2-(2-furyl)-2-piperidino-ethyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C1CCN(CC1)C(CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C19H23N3O4S/c23-19(14-27-16-8-6-15(7-9-16)22(24)25)20-13-17(18-5-4-12-26-18)21-10-2-1-3-11-21/h4-9,12,17H,1-3,10-11,13-14H2,(H,20,23)