tert-butyl N-[4-[2-cyanoethyl-(3-nitrophenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[2-cyanoethyl-(3-nitrophenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-3-[2-cyanoethyl-(3-nitrophenyl)sulfonyl-amino]-2-hydroxy-propyl]carbamate CAS Name: N-[4-[2-cyanoethyl-(3-nitrophenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-cyanoethyl-(3-nitrophenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[1-benzyl-3-[2-cyanoethyl-(3-nitrophenyl)sulfonyl-amino]-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C24H30N4O7S MolecularWeight: 518.5826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O7S/c1-24(2,3)35-23(30)26-21(15-18-9-5-4-6-10-18)22(29)17-27(14-8-13-25)36(33,34)20-12-7-11-19(16-20)28(31)32/h4-7,9-12,16,21-22,29H,8,14-15,17H2,1-3H3,(H,26,30)