(phenylmethyl) N-[3-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]propyl]-N-oxidanyl-carbamate

Systemtic Name: (phenylmethyl) N-[3-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]propyl]-N-oxidanyl-carbamate Openeye Name: benzyl N-hydroxy-N-[3-[isobutyl-(4-nitrophenyl)sulfonyl-amino]propyl]carbamate CAS Name: N-hydroxy-N-[3-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-hydroxy-N-[3-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]propyl]carbamate Traditional Name: N-hydroxy-N-[3-[isobutyl(nosyl)amino]propyl]carbamic acid benzyl ester Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCCN(C(=O)OCC1=CC=CC=C1)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CCCN(C(=O)OCC1=CC=CC=C1)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O7S/c1-17(2)15-22(32(29,30)20-11-9-19(10-12-20)24(27)28)13-6-14-23(26)21(25)31-16-18-7-4-3-5-8-18/h3-5,7-12,17,26H,6,13-16H2,1-2H3