1-(4-azidosulfonylphenyl)-3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]urea

Systemtic Name: 1-(4-azidosulfonylphenyl)-3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]urea Openeye Name: 1-(4-azidosulfonylphenyl)-3-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]urea CAS Name: 1-(4-azidosulfonylphenyl)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]urea IUPAC Name: 1-(4-azidosulfonylphenyl)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]urea Traditional Name: 1-(4-azidosulfonylphenyl)-3-(3,5-ditert-butyl-4-hydroxy-benzyl)urea Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C22H29N5O4S/c1-21(2,3)17-11-14(12-18(19(17)28)22(4,5)6)13-24-20(29)25-15-7-9-16(10-8-15)32(30,31)27-26-23/h7-12,28H,13H2,1-6H3,(H2,24,25,29)