tert-butyl N-[3-[(6-chloranyl-3-nitro-2-oxidanyl-phenyl)sulfonylamino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(6-chloranyl-3-nitro-2-oxidanyl-phenyl)sulfonylamino]propyl]carbamate Openeye Name: tert-butyl N-[3-[(6-chloro-2-hydroxy-3-nitro-phenyl)sulfonylamino]propyl]carbamate CAS Name: N-[3-[(6-chloro-2-hydroxy-3-nitrophenyl)sulfonylamino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(6-chloro-2-hydroxy-3-nitrophenyl)sulfonylamino]propyl]carbamate Traditional Name: N-[3-[(6-chloro-2-hydroxy-3-nitro-phenyl)sulfonylamino]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)NCCCNS(=O)(=O)C1=C(C=CC(=C1O)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNS(=O)(=O)C1=C(C=CC(=C1O)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H20ClN3O7S/c1-14(2,3)25-13(20)16-7-4-8-17-26(23,24)12-9(15)5-6-10(11(12)19)18(21)22/h5-6,17,19H,4,7-8H2,1-3H3,(H,16,20)