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

Systemtic Name: tert-butyl N-[4-[(4-cyano-2,2-dimethyl-butyl)-[3-(dimethylamino)phenyl]sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-3-[(4-cyano-2,2-dimethyl-butyl)-[3-(dimethylamino)phenyl]sulfonyl-amino]-2-hydroxy-propyl]carbamate CAS Name: N-[4-[(4-cyano-2,2-dimethylbutyl)-[3-(dimethylamino)phenyl]sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(4-cyano-2,2-dimethylbutyl)-[3-(dimethylamino)phenyl]sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[1-benzyl-3-[(4-cyano-2,2-dimethyl-butyl)-[3-(dimethylamino)phenyl]sulfonyl-amino]-2-hydroxy-propyl]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(CN(CC(C)(C)CCC#N)S(=O)(=O)C2=CC=CC(=C2)N(C)C)O

Isomeric SMILES

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

InChI

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