tert-butyl N-[4-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[3-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-1-benzyl-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C29H39N3O7S MolecularWeight: 573.70086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CN(CC(C)(C)CCC#N)S(=O)(=O)C2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CN(CC(C)(C)CCC#N)S(=O)(=O)C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C29H39N3O7S/c1-28(2,3)39-27(34)31-23(16-21-10-7-6-8-11-21)24(33)18-32(19-29(4,5)14-9-15-30)40(35,36)22-12-13-25-26(17-22)38-20-37-25/h6-8,10-13,17,23-24,33H,9,14,16,18-20H2,1-5H3,(H,31,34)