(3-methylpiperidin-1-yl)-(5-methylsulfanyl-2-nitro-phenyl)methanone

Systemtic Name: (3-methylpiperidin-1-yl)-(5-methylsulfanyl-2-nitro-phenyl)methanone Openeye Name: (3-methyl-1-piperidyl)-(5-methylsulfanyl-2-nitro-phenyl)methanone CAS Name: (3-methyl-1-piperidinyl)-[5-(methylthio)-2-nitrophenyl]methanone IUPAC Name: (3-methylpiperidin-1-yl)-(5-methylsulfanyl-2-nitrophenyl)methanone Traditional Name: (3-methylpiperidino)-[5-(methylthio)-2-nitro-phenyl]methanone Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O3S/c1-10-4-3-7-15(9-10)14(17)12-8-11(20-2)5-6-13(12)16(18)19/h5-6,8,10H,3-4,7,9H2,1-2H3