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

Systemtic Name: methyl 1-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[4-(tert-butylsulfamoyl)-2-nitrophenyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(tert-butylsulfamoyl)-2-nitrophenyl]piperidine-4-carboxylate Traditional Name: 1-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]isonipecotic acid methyl ester Formula: C17H25N3O6S MolecularWeight: 399.4619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6S/c1-17(2,3)18-27(24,25)13-5-6-14(15(11-13)20(22)23)19-9-7-12(8-10-19)16(21)26-4/h5-6,11-12,18H,7-10H2,1-4H3