tert-butyl 4-[(5-chloranyl-2-nitro-3-oxidanyl-4-sulfamoyl-phenyl)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-chloranyl-2-nitro-3-oxidanyl-4-sulfamoyl-phenyl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(5-chloro-3-hydroxy-2-nitro-4-sulfamoyl-phenyl)methyl]piperidine-1-carboxylate CAS Name: 4-[(5-chloro-3-hydroxy-2-nitro-4-sulfamoylphenyl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-chloro-3-hydroxy-2-nitro-4-sulfamoylphenyl)methyl]piperidine-1-carboxylate Traditional Name: 4-(5-chloro-3-hydroxy-2-nitro-4-sulfamoyl-benzyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C17H24ClN3O7S MolecularWeight: 449.90636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC2=CC(=C(C(=C2[N+](=O)[O-])O)S(=O)(=O)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC2=CC(=C(C(=C2[N+](=O)[O-])O)S(=O)(=O)N)Cl

InChI

InChI=1S/C17H24ClN3O7S/c1-17(2,3)28-16(23)20-6-4-10(5-7-20)8-11-9-12(18)15(29(19,26)27)14(22)13(11)21(24)25/h9-10,22H,4-8H2,1-3H3,(H2,19,26,27)