2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-(1-methylsulfonylpiperidin-4-yl)ethanamide

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-(1-methylsulfonylpiperidin-4-yl)ethanamide Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-(1-methylsulfonyl-4-piperidyl)acetamide CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-N-(1-methylsulfonyl-4-piperidinyl)acetamide IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide Traditional Name: N-(1-mesyl-4-piperidyl)-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C16H23N3O6S2 MolecularWeight: 417.50032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O6S2/c1-25-15-4-3-12(9-14(15)19(21)22)10-26-11-16(20)17-13-5-7-18(8-6-13)27(2,23)24/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,17,20)