ethyl (3R)-1-[4-(diethylsulfamoyl)-2-nitro-phenyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[4-(diethylsulfamoyl)-2-nitro-phenyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[4-(diethylsulfamoyl)-2-nitro-phenyl]piperidine-3-carboxylate CAS Name: (3R)-1-[4-(diethylsulfamoyl)-2-nitrophenyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[4-(diethylsulfamoyl)-2-nitrophenyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[4-(diethylsulfamoyl)-2-nitro-phenyl]nipecotic acid ethyl ester Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC[C@H](C2)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O6S/c1-4-20(5-2)28(25,26)15-9-10-16(17(12-15)21(23)24)19-11-7-8-14(13-19)18(22)27-6-3/h9-10,12,14H,4-8,11,13H2,1-3H3/t14-/m1/s1