1-[4-(4-azidosulfonylphenoxy)phenyl]-3-[3,5-bis(2-methylbutan-2-yl)-4-oxidanyl-phenyl]urea

Systemtic Name: 1-[4-(4-azidosulfonylphenoxy)phenyl]-3-[3,5-bis(2-methylbutan-2-yl)-4-oxidanyl-phenyl]urea Openeye Name: 1-[4-(4-azidosulfonylphenoxy)phenyl]-3-[3,5-bis(1,1-dimethylpropyl)-4-hydroxy-phenyl]urea CAS Name: 1-[4-(4-azidosulfonylphenoxy)phenyl]-3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]urea IUPAC Name: 1-[4-(4-azidosulfonylphenoxy)phenyl]-3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]urea Traditional Name: 1-[4-(4-azidosulfonylphenoxy)phenyl]-3-(3,5-ditert-amyl-4-hydroxy-phenyl)urea Formula: C29H35N5O5S MolecularWeight: 565.6837

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CC)NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

CCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CC)NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C29H35N5O5S/c1-7-28(3,4)24-17-20(18-25(26(24)35)29(5,6)8-2)32-27(36)31-19-9-11-21(12-10-19)39-22-13-15-23(16-14-22)40(37,38)34-33-30/h9-18,35H,7-8H2,1-6H3,(H2,31,32,36)