prop-2-enyl N-[3-[3-bromanylpropyl-(2-nitrophenyl)sulfonyl-amino]propyl]carbamate

Systemtic Name: prop-2-enyl N-[3-[3-bromanylpropyl-(2-nitrophenyl)sulfonyl-amino]propyl]carbamate Openeye Name: allyl N-[3-[3-bromopropyl-(2-nitrophenyl)sulfonyl-amino]propyl]carbamate CAS Name: N-[3-[3-bromopropyl-(2-nitrophenyl)sulfonylamino]propyl]carbamic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N-[3-[3-bromopropyl-(2-nitrophenyl)sulfonylamino]propyl]carbamate Traditional Name: N-[3-[3-bromopropyl-(2-nitrophenyl)sulfonyl-amino]propyl]carbamic acid allyl ester Formula: C16H22BrN3O6S MolecularWeight: 464.33138

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NCCCN(CCCBr)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

C=CCOC(=O)NCCCN(CCCBr)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C16H22BrN3O6S/c1-2-13-26-16(21)18-10-6-12-19(11-5-9-17)27(24,25)15-8-4-3-7-14(15)20(22)23/h2-4,7-8H,1,5-6,9-13H2,(H,18,21)