tert-butyl N-[3-[4-bromanylbutyl-(2-nitrophenyl)sulfonyl-amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-bromanylbutyl-(2-nitrophenyl)sulfonyl-amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[4-bromobutyl-(2-nitrophenyl)sulfonyl-amino]propyl]carbamate CAS Name: N-[3-[4-bromobutyl-(2-nitrophenyl)sulfonylamino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-bromobutyl-(2-nitrophenyl)sulfonylamino]propyl]carbamate Traditional Name: N-[3-[4-bromobutyl-(2-nitrophenyl)sulfonyl-amino]propyl]carbamic acid tert-butyl ester Formula: C18H28BrN3O6S MolecularWeight: 494.40042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCN(CCCCBr)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCN(CCCCBr)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C18H28BrN3O6S/c1-18(2,3)28-17(23)20-12-8-14-21(13-7-6-11-19)29(26,27)16-10-5-4-9-15(16)22(24)25/h4-5,9-10H,6-8,11-14H2,1-3H3,(H,20,23)