N-(4-methylsulfanylphenyl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(4-methylsulfanylphenyl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(4-methylsulfanylphenyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[4-(methylthio)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(4-methylsulfanylphenyl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(methylthio)phenyl]-3-nitro-4-piperidino-benzamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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