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

Systemtic Name: (phenylmethyl) N-[3-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-2-oxidanyl-propyl]carbamate Openeye Name: benzyl N-[2-hydroxy-3-[isobutyl-(4-nitrophenyl)sulfonyl-amino]propyl]carbamate CAS Name: N-[2-hydroxy-3-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-hydroxy-3-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]propyl]carbamate Traditional Name: N-[2-hydroxy-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(CC(CNC(=O)OCC1=CC=CC=C1)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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