methyl 1-[4-(dimethylsulfamoyl)-2-nitro-phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-(dimethylsulfamoyl)-2-nitro-phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-(dimethylsulfamoyl)-2-nitro-phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-(dimethylsulfamoyl)-2-nitrophenyl]sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(dimethylsulfamoyl)-2-nitrophenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-(dimethylsulfamoyl)-2-nitro-phenyl]sulfonylisonipecotic acid methyl ester Formula: C15H21N3O8S2 MolecularWeight: 435.47254

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O8S2/c1-16(2)27(22,23)12-4-5-14(13(10-12)18(20)21)28(24,25)17-8-6-11(7-9-17)15(19)26-3/h4-5,10-11H,6-9H2,1-3H3