N-(4-chloranyl-2-fluoranyl-phenyl)-3-nitro-4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-benzamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-3-nitro-4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-benzamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-3-nitro-4-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-benzamide CAS Name: N-(4-chloro-2-fluorophenyl)-3-nitro-4-[[2-oxo-2-(1-piperidinyl)ethyl]thio]benzamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-3-nitro-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-4-[(2-keto-2-piperidino-ethyl)thio]-3-nitro-benzamide Formula: C20H19ClFN3O4S MolecularWeight: 451.898963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClFN3O4S/c21-14-5-6-16(15(22)11-14)23-20(27)13-4-7-18(17(10-13)25(28)29)30-12-19(26)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9,12H2,(H,23,27)