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

Systemtic Name: tert-butyl N-[2-(5-chloranyl-2-nitro-3-oxidanyl-4-sulfamoyl-phenyl)ethyl]carbamate Openeye Name: tert-butyl N-[2-(5-chloro-3-hydroxy-2-nitro-4-sulfamoyl-phenyl)ethyl]carbamate CAS Name: N-[2-(5-chloro-3-hydroxy-2-nitro-4-sulfamoylphenyl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(5-chloro-3-hydroxy-2-nitro-4-sulfamoylphenyl)ethyl]carbamate Traditional Name: N-[2-(5-chloro-3-hydroxy-2-nitro-4-sulfamoyl-phenyl)ethyl]carbamic acid tert-butyl ester Formula: C13H18ClN3O7S MolecularWeight: 395.81592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=CC(=C(C(=C1[N+](=O)[O-])O)S(=O)(=O)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=CC(=C(C(=C1[N+](=O)[O-])O)S(=O)(=O)N)Cl

InChI

InChI=1S/C13H18ClN3O7S/c1-13(2,3)24-12(19)16-5-4-7-6-8(14)11(25(15,22)23)10(18)9(7)17(20)21/h6,18H,4-5H2,1-3H3,(H,16,19)(H2,15,22,23)