N-(3-methylsulfanylphenyl)-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-(3-methylsulfanylphenyl)-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-(3-methylsulfanylphenyl)-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[3-(methylthio)phenyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-(3-methylsulfanylphenyl)-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[3-(methylthio)phenyl]-5-nitro-2-piperidino-benzamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C19H21N3O3S/c1-26-16-7-5-6-14(12-16)20-19(23)17-13-15(22(24)25)8-9-18(17)21-10-3-2-4-11-21/h5-9,12-13H,2-4,10-11H2,1H3,(H,20,23)