4-chloranyl-2-[[5-(diethylsulfamoyl)-2-piperidin-1-yl-phenyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[5-(diethylsulfamoyl)-2-piperidin-1-yl-phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[5-(diethylsulfamoyl)-2-(1-piperidyl)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[5-(diethylsulfamoyl)-2-(1-piperidinyl)phenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[5-(diethylsulfamoyl)-2-piperidino-phenyl]iminomethyl]-6-nitro-phenolate Formula: C22H26ClN4O5S- MolecularWeight: 493.98364

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C22H27ClN4O5S/c1-3-26(4-2)33(31,32)18-8-9-20(25-10-6-5-7-11-25)19(14-18)24-15-16-12-17(23)13-21(22(16)28)27(29)30/h8-9,12-15,28H,3-7,10-11H2,1-2H3/p-1