ethyl 1-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]piperidine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O6S/c1-5-27-17(22)13-8-10-20(11-9-13)15-7-6-14(12-16(15)21(23)24)28(25,26)19-18(2,3)4/h6-7,12-13,19H,5,8-11H2,1-4H3