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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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