(phenylmethyl) N-[5-(5-methyl-2-nitro-phenyl)sulfanyloxy-1-oxidanyl-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[5-(5-methyl-2-nitro-phenyl)sulfanyloxy-1-oxidanyl-pentan-2-yl]carbamate Openeye Name: benzyl N-[1-(hydroxymethyl)-4-(5-methyl-2-nitro-phenyl)sulfanyloxy-butyl]carbamate CAS Name: 5-methyl-2-nitrobenzenesulfenic acid [5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl] ester IUPAC Name: benzyl N-[1-hydroxy-5-(5-methyl-2-nitrophenyl)sulfanyloxypentan-2-yl]carbamate Traditional Name: N-[4-[(5-methyl-2-nitro-phenyl)thio]oxy-1-methylol-butyl]carbamic acid benzyl ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(CO)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(CO)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O6S/c1-15-9-10-18(22(25)26)19(12-15)29-28-11-5-8-17(13-23)21-20(24)27-14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17,23H,5,8,11,13-14H2,1H3,(H,21,24)