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

Systemtic Name: tert-butyl N-[4-[2,2-dicyanoethenyl-(4-methoxyphenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-3-[2,2-dicyanovinyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]carbamate CAS Name: N-[4-[2,2-dicyanoethenyl-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2,2-dicyanoethenyl-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[1-benzyl-3-[2,2-dicyanovinyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C26H30N4O6S MolecularWeight: 526.6046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O6S/c1-26(2,3)36-25(32)29-23(14-19-8-6-5-7-9-19)24(31)18-30(17-20(15-27)16-28)37(33,34)22-12-10-21(35-4)11-13-22/h5-13,17,23-24,31H,14,18H2,1-4H3,(H,29,32)