(phenylmethyl) N-[6-nitro-1-(phenylsulfonyl)hexyl]carbamate

Systemtic Name: (phenylmethyl) N-[6-nitro-1-(phenylsulfonyl)hexyl]carbamate Openeye Name: benzyl N-[1-(benzenesulfonyl)-6-nitro-hexyl]carbamate CAS Name: N-[1-(benzenesulfonyl)-6-nitrohexyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(benzenesulfonyl)-6-nitrohexyl]carbamate Traditional Name: N-(1-besyl-6-nitro-hexyl)carbamic acid benzyl ester Formula: C20H24N2O6S MolecularWeight: 420.47936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCC[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCCCC[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H24N2O6S/c23-20(28-16-17-10-4-1-5-11-17)21-19(14-8-3-9-15-22(24)25)29(26,27)18-12-6-2-7-13-18/h1-2,4-7,10-13,19H,3,8-9,14-16H2,(H,21,23)