(4-hydroxyphenyl)-[1-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperidin-4-yl]methanone

Systemtic Name: (4-hydroxyphenyl)-[1-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperidin-4-yl]methanone Openeye Name: (4-hydroxyphenyl)-[1-(4-methylsulfanyl-3-nitro-benzoyl)-4-piperidyl]methanone CAS Name: (4-hydroxyphenyl)-[1-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: (4-hydroxyphenyl)-[1-(4-methylsulfanyl-3-nitrobenzoyl)piperidin-4-yl]methanone Traditional Name: (4-hydroxyphenyl)-[1-[4-(methylthio)-3-nitro-benzoyl]-4-piperidyl]methanone Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-28-18-7-4-15(12-17(18)22(26)27)20(25)21-10-8-14(9-11-21)19(24)13-2-5-16(23)6-3-13/h2-7,12,14,23H,8-11H2,1H3