tert-butyl N-[3-(5-chloranyl-2-nitro-3-oxidanyl-4-sulfamoyl-phenyl)propyl]carbamate

Systemtic Name: tert-butyl N-[3-(5-chloranyl-2-nitro-3-oxidanyl-4-sulfamoyl-phenyl)propyl]carbamate Openeye Name: tert-butyl N-[3-(5-chloro-3-hydroxy-2-nitro-4-sulfamoyl-phenyl)propyl]carbamate CAS Name: N-[3-(5-chloro-3-hydroxy-2-nitro-4-sulfamoylphenyl)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(5-chloro-3-hydroxy-2-nitro-4-sulfamoylphenyl)propyl]carbamate Traditional Name: N-[3-(5-chloro-3-hydroxy-2-nitro-4-sulfamoyl-phenyl)propyl]carbamic acid tert-butyl ester Formula: C14H20ClN3O7S MolecularWeight: 409.8425

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC1=CC(=C(C(=C1[N+](=O)[O-])O)S(=O)(=O)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC1=CC(=C(C(=C1[N+](=O)[O-])O)S(=O)(=O)N)Cl

InChI

InChI=1S/C14H20ClN3O7S/c1-14(2,3)25-13(20)17-6-4-5-8-7-9(15)12(26(16,23)24)11(19)10(8)18(21)22/h7,19H,4-6H2,1-3H3,(H,17,20)(H2,16,23,24)