tert-butyl 3-[[3-[[azanyl-(cyanoamino)methylidene]amino]phenyl]sulfonylamino]-2-phenyl-propanoate

Systemtic Name: tert-butyl 3-[[3-[[azanyl-(cyanoamino)methylidene]amino]phenyl]sulfonylamino]-2-phenyl-propanoate Openeye Name: tert-butyl 3-[[3-[[amino-(cyanoamino)methylene]amino]phenyl]sulfonylamino]-2-phenyl-propanoate CAS Name: 3-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]sulfonylamino]-2-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]sulfonylamino]-2-phenylpropanoate Traditional Name: 3-[[3-[[amino-(cyanoamino)methylene]amino]phenyl]sulfonylamino]-2-phenyl-propionic acid tert-butyl ester Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CNS(=O)(=O)C1=CC=CC(=C1)N=C(N)NC#N)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CNS(=O)(=O)C1=CC=CC(=C1)N=C(N)NC#N)C2=CC=CC=C2

InChI

InChI=1S/C21H25N5O4S/c1-21(2,3)30-19(27)18(15-8-5-4-6-9-15)13-25-31(28,29)17-11-7-10-16(12-17)26-20(23)24-14-22/h4-12,18,25H,13H2,1-3H3,(H3,23,24,26)