[5-(3-chloranylpropylsulfonylamino)-4-methyl-pentan-2-yl] benzoate; 2-octadecyl-1,2-oxaziridin-3-one

Systemtic Name: [5-(3-chloranylpropylsulfonylamino)-4-methyl-pentan-2-yl] benzoate; 2-octadecyl-1,2-oxaziridin-3-one Openeye Name: [4-(3-chloropropylsulfonylamino)-1,3-dimethyl-butyl] benzoate; 2-octadecyloxaziridin-3-one CAS Name: benzoic acid [5-(3-chloropropylsulfonylamino)-4-methylpentan-2-yl] ester; 2-octadecyl-3-oxaziridinone IUPAC Name: [5-(3-chloropropylsulfonylamino)-4-methylpentan-2-yl] benzoate; 2-octadecyloxaziridin-3-one Traditional Name: benzoic acid [4-(3-chloropropylsulfonylamino)-1,3-dimethyl-butyl] ester; 2-stearyloxaziridin-3-one Formula: C35H61ClN2O6S MolecularWeight: 673.38664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)O1.CC(CC(C)OC(=O)C1=CC=CC=C1)CNS(=O)(=O)CCCCl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)O1.CC(CC(C)OC(=O)C1=CC=CC=C1)CNS(=O)(=O)CCCCl

InChI

InChI=1S/C19H37NO2.C16H24ClNO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(21)22-20;1-13(12-18-23(20,21)10-6-9-17)11-14(2)22-16(19)15-7-4-3-5-8-15/h2-18H2,1H3;3-5,7-8,13-14,18H,6,9-12H2,1-2H3