[2-bromanyl-3-[(4-methylphenyl)sulfonylcarbamoyloxy]-2-nitro-propyl] N-(4-methylphenyl)sulfonylcarbamate

Systemtic Name: [2-bromanyl-3-[(4-methylphenyl)sulfonylcarbamoyloxy]-2-nitro-propyl] N-(4-methylphenyl)sulfonylcarbamate Openeye Name: [2-bromo-2-nitro-3-(p-tolylsulfonylcarbamoyloxy)propyl] N-(p-tolylsulfonyl)carbamate CAS Name: N-(4-methylphenyl)sulfonylcarbamic acid [2-bromo-3-[[(4-methylphenyl)sulfonylamino]-oxomethoxy]-2-nitropropyl] ester IUPAC Name: [2-bromo-3-[(4-methylphenyl)sulfonylcarbamoyloxy]-2-nitropropyl] N-(4-methylphenyl)sulfonylcarbamate Traditional Name: N-tosylcarbamic acid [2-bromo-2-nitro-3-(tosylcarbamoyloxy)propyl] ester Formula: C19H20BrN3O10S2 MolecularWeight: 594.4102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OCC(COC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)([N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OCC(COC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)([N+](=O)[O-])Br

InChI

InChI=1S/C19H20BrN3O10S2/c1-13-3-7-15(8-4-13)34(28,29)21-17(24)32-11-19(20,23(26)27)12-33-18(25)22-35(30,31)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,25)