tert-butyl N-[8-cyano-6,6-dimethyl-2-[(3-nitrophenyl)sulfonylamino]-3-oxidanyl-1-phenyl-octan-2-yl]carbamate

Systemtic Name: tert-butyl N-[8-cyano-6,6-dimethyl-2-[(3-nitrophenyl)sulfonylamino]-3-oxidanyl-1-phenyl-octan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-7-cyano-2-hydroxy-5,5-dimethyl-1-[(3-nitrophenyl)sulfonylamino]heptyl]carbamate CAS Name: N-[8-cyano-3-hydroxy-6,6-dimethyl-2-[(3-nitrophenyl)sulfonylamino]-1-phenyloctan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[8-cyano-3-hydroxy-6,6-dimethyl-2-[(3-nitrophenyl)sulfonylamino]-1-phenyloctan-2-yl]carbamate Traditional Name: N-[1-benzyl-7-cyano-2-hydroxy-5,5-dimethyl-1-[(3-nitrophenyl)sulfonylamino]heptyl]carbamic acid tert-butyl ester Formula: C28H38N4O7S MolecularWeight: 574.68892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)(C(CCC(C)(C)CCC#N)O)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)(C(CCC(C)(C)CCC#N)O)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C28H38N4O7S/c1-26(2,3)39-25(34)30-28(20-21-11-7-6-8-12-21,24(33)15-17-27(4,5)16-10-18-29)31-40(37,38)23-14-9-13-22(19-23)32(35)36/h6-9,11-14,19,24,31,33H,10,15-17,20H2,1-5H3,(H,30,34)