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

Systemtic Name: N-(2-methylsulfanylphenyl)-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-(2-methylsulfanylphenyl)-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[2-(methylthio)phenyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-(2-methylsulfanylphenyl)-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[2-(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=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C19H21N3O3S/c1-26-18-8-4-3-7-16(18)20-19(23)15-13-14(22(24)25)9-10-17(15)21-11-5-2-6-12-21/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,20,23)