(phenylmethyl) 6-[(2-methylpropan-2-yl)oxy-(2-nitrophenyl)sulfonyl-amino]hexanoate

Systemtic Name: (phenylmethyl) 6-[(2-methylpropan-2-yl)oxy-(2-nitrophenyl)sulfonyl-amino]hexanoate Openeye Name: benzyl 6-[tert-butoxy-(2-nitrophenyl)sulfonyl-amino]hexanoate CAS Name: 6-[(2-methylpropan-2-yl)oxy-(2-nitrophenyl)sulfonylamino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[(2-methylpropan-2-yl)oxy-(2-nitrophenyl)sulfonylamino]hexanoate Traditional Name: 6-[tert-butoxy-(2-nitrophenyl)sulfonyl-amino]hexanoic acid benzyl ester Formula: C23H30N2O7S MolecularWeight: 478.5585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)ON(CCCCCC(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)ON(CCCCCC(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C23H30N2O7S/c1-23(2,3)32-24(33(29,30)21-15-10-9-14-20(21)25(27)28)17-11-5-8-16-22(26)31-18-19-12-6-4-7-13-19/h4,6-7,9-10,12-15H,5,8,11,16-18H2,1-3H3