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

Systemtic Name: (4-methylpiperidin-1-yl)-[3-nitro-4-(pyridin-4-ylmethylsulfanyl)phenyl]methanone Openeye Name: (4-methyl-1-piperidyl)-[3-nitro-4-(4-pyridylmethylsulfanyl)phenyl]methanone CAS Name: (4-methyl-1-piperidinyl)-[3-nitro-4-(pyridin-4-ylmethylthio)phenyl]methanone IUPAC Name: (4-methylpiperidin-1-yl)-[3-nitro-4-(pyridin-4-ylmethylsulfanyl)phenyl]methanone Traditional Name: (4-methylpiperidino)-[3-nitro-4-(4-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=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CC=NC=C3)[N+](=O)[O-]

InChI

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