tert-butyl N-[2-azanyl-8-cyano-3-(4-methoxyphenyl)sulfonyl-6,6-dimethyl-3-oxidanyl-1-phenyl-octan-2-yl]carbamate

Systemtic Name: tert-butyl N-[2-azanyl-8-cyano-3-(4-methoxyphenyl)sulfonyl-6,6-dimethyl-3-oxidanyl-1-phenyl-octan-2-yl]carbamate Openeye Name: tert-butyl N-[1-amino-1-benzyl-7-cyano-2-hydroxy-2-(4-methoxyphenyl)sulfonyl-5,5-dimethyl-heptyl]carbamate CAS Name: N-[2-amino-8-cyano-3-hydroxy-3-(4-methoxyphenyl)sulfonyl-6,6-dimethyl-1-phenyloctan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-amino-8-cyano-3-hydroxy-3-(4-methoxyphenyl)sulfonyl-6,6-dimethyl-1-phenyloctan-2-yl]carbamate Traditional Name: N-[1-amino-1-benzyl-7-cyano-2-hydroxy-2-(4-methoxyphenyl)sulfonyl-5,5-dimethyl-heptyl]carbamic acid tert-butyl ester Formula: C29H41N3O6S MolecularWeight: 559.71734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)(C(CCC(C)(C)CCC#N)(O)S(=O)(=O)C2=CC=C(C=C2)OC)N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)(C(CCC(C)(C)CCC#N)(O)S(=O)(=O)C2=CC=C(C=C2)OC)N

InChI

InChI=1S/C29H41N3O6S/c1-26(2,3)38-25(33)32-28(31,21-22-11-8-7-9-12-22)29(34,19-18-27(4,5)17-10-20-30)39(35,36)24-15-13-23(37-6)14-16-24/h7-9,11-16,34H,10,17-19,21,31H2,1-6H3,(H,32,33)