2,3-dihydro-1,4-benzodioxin-6-yl-[1-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperidin-4-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperidin-4-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(4-methylsulfanyl-3-nitro-benzoyl)-4-piperidyl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(4-methylsulfanyl-3-nitrobenzoyl)piperidin-4-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[4-(methylthio)-3-nitro-benzoyl]-4-piperidyl]methanone Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O6S/c1-31-20-5-3-16(12-17(20)24(27)28)22(26)23-8-6-14(7-9-23)21(25)15-2-4-18-19(13-15)30-11-10-29-18/h2-5,12-14H,6-11H2,1H3