(4-methylpiperidin-1-yl)-[3-nitro-4-(pyridin-2-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: (4-methylpiperidin-1-yl)-[3-nitro-4-(pyridin-2-ylmethylsulfanyl)phenyl]methanone Openeye Name: (4-methyl-1-piperidyl)-[3-nitro-4-(2-pyridylmethylsulfanyl)phenyl]methanone CAS Name: (4-methyl-1-piperidinyl)-[3-nitro-4-(2-pyridinylmethylthio)phenyl]methanone IUPAC Name: (4-methylpiperidin-1-yl)-[3-nitro-4-(pyridin-2-ylmethylsulfanyl)phenyl]methanone Traditional Name: (4-methylpiperidino)-[3-nitro-4-(2-pyridylmethylthio)phenyl]methanone Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3S/c1-14-7-10-21(11-8-14)19(23)15-5-6-18(17(12-15)22(24)25)26-13-16-4-2-3-9-20-16/h2-6,9,12,14H,7-8,10-11,13H2,1H3