tert-butyl N-[4-[1,3-benzodioxol-5-ylsulfonyl-(6-cyano-2,2-dimethyl-hexyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[1,3-benzodioxol-5-ylsulfonyl-(6-cyano-2,2-dimethyl-hexyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[3-[1,3-benzodioxol-5-ylsulfonyl-(6-cyano-2,2-dimethyl-hexyl)amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl-(6-cyano-2,2-dimethylhexyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[1,3-benzodioxol-5-ylsulfonyl-(6-cyano-2,2-dimethylhexyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl-(6-cyano-2,2-dimethyl-hexyl)amino]-1-benzyl-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C31H43N3O7S MolecularWeight: 601.75402

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H43N3O7S/c1-30(2,3)41-29(36)33-25(18-23-12-8-6-9-13-23)26(35)20-34(21-31(4,5)16-10-7-11-17-32)42(37,38)24-14-15-27-28(19-24)40-22-39-27/h6,8-9,12-15,19,25-26,35H,7,10-11,16,18,20-22H2,1-5H3,(H,33,36)