(3,5-dimethylpiperidin-1-yl)-(4-methylsulfanyl-3-nitro-phenyl)methanone

Systemtic Name: (3,5-dimethylpiperidin-1-yl)-(4-methylsulfanyl-3-nitro-phenyl)methanone Openeye Name: (3,5-dimethyl-1-piperidyl)-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: (3,5-dimethyl-1-piperidinyl)-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: (3,5-dimethylpiperidin-1-yl)-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: (3,5-dimethylpiperidino)-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C

InChI

InChI=1S/C15H20N2O3S/c1-10-6-11(2)9-16(8-10)15(18)12-4-5-14(21-3)13(7-12)17(19)20/h4-5,7,10-11H,6,8-9H2,1-3H3