N-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-N-(3-methylsulfanylphenyl)-3-nitro-benzamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-N-(3-methylsulfanylphenyl)-3-nitro-benzamide Openeye Name: N-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-N-(3-methylsulfanylphenyl)-3-nitro-benzamide CAS Name: N-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-N-[3-(methylthio)phenyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylsulfanylphenyl)-3-nitrobenzamide Traditional Name: N-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]-N-[3-(methylthio)phenyl]-3-nitro-benzamide Formula: C28H28FN3O4S MolecularWeight: 521.603023

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N(CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)N(CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H28FN3O4S/c1-37-26-7-3-5-24(19-26)31(28(34)22-4-2-6-25(18-22)32(35)36)17-16-30-14-12-21(13-15-30)27(33)20-8-10-23(29)11-9-20/h2-11,18-19,21H,12-17H2,1H3