tert-butyl [4-[(2R)-3-cyano-2-[(2-nitrophenyl)sulfonylamino]propyl]phenyl] carbonate

Systemtic Name: tert-butyl [4-[(2R)-3-cyano-2-[(2-nitrophenyl)sulfonylamino]propyl]phenyl] carbonate Openeye Name: tert-butyl [4-[(2R)-3-cyano-2-[(2-nitrophenyl)sulfonylamino]propyl]phenyl] carbonate CAS Name: carbonic acid tert-butyl [4-[(2R)-3-cyano-2-[(2-nitrophenyl)sulfonylamino]propyl]phenyl] ester IUPAC Name: tert-butyl [4-[(2R)-3-cyano-2-[(2-nitrophenyl)sulfonylamino]propyl]phenyl] carbonate Traditional Name: carbonic acid tert-butyl [4-[(2R)-3-cyano-2-[(2-nitrophenyl)sulfonylamino]propyl]phenyl] ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=CC=C(C=C1)CC(CC#N)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)OC1=CC=C(C=C1)C[C@H](CC#N)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7S/c1-21(2,3)31-20(25)30-17-10-8-15(9-11-17)14-16(12-13-22)23-32(28,29)19-7-5-4-6-18(19)24(26)27/h4-11,16,23H,12,14H2,1-3H3/t16-/m0/s1