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

Systemtic Name: tert-butyl N-[8-cyano-2-[[3-(dimethylamino)phenyl]sulfonylamino]-6,6-dimethyl-3-oxidanyl-1-phenyl-octan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-7-cyano-1-[[3-(dimethylamino)phenyl]sulfonylamino]-2-hydroxy-5,5-dimethyl-heptyl]carbamate CAS Name: N-[8-cyano-2-[[3-(dimethylamino)phenyl]sulfonylamino]-3-hydroxy-6,6-dimethyl-1-phenyloctan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[8-cyano-2-[[3-(dimethylamino)phenyl]sulfonylamino]-3-hydroxy-6,6-dimethyl-1-phenyloctan-2-yl]carbamate Traditional Name: N-[1-benzyl-7-cyano-1-[[3-(dimethylamino)phenyl]sulfonylamino]-2-hydroxy-5,5-dimethyl-heptyl]carbamic acid tert-butyl ester Formula: C30H44N4O5S MolecularWeight: 572.75916

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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(C)C

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(C)C

InChI

InChI=1S/C30H44N4O5S/c1-28(2,3)39-27(36)32-30(22-23-13-9-8-10-14-23,26(35)17-19-29(4,5)18-12-20-31)33-40(37,38)25-16-11-15-24(21-25)34(6)7/h8-11,13-16,21,26,33,35H,12,17-19,22H2,1-7H3,(H,32,36)