1-(4-azidosulfonylphenyl)-3-[3-(3-tert-butyl-5-octyl-4-oxidanyl-phenyl)propyl]urea

Systemtic Name: 1-(4-azidosulfonylphenyl)-3-[3-(3-tert-butyl-5-octyl-4-oxidanyl-phenyl)propyl]urea Openeye Name: 1-(4-azidosulfonylphenyl)-3-[3-(3-tert-butyl-4-hydroxy-5-octyl-phenyl)propyl]urea CAS Name: 1-(4-azidosulfonylphenyl)-3-[3-(3-tert-butyl-4-hydroxy-5-octylphenyl)propyl]urea IUPAC Name: 1-(4-azidosulfonylphenyl)-3-[3-(3-tert-butyl-4-hydroxy-5-octylphenyl)propyl]urea Traditional Name: 1-(4-azidosulfonylphenyl)-3-[3-(3-tert-butyl-4-hydroxy-5-octyl-phenyl)propyl]urea Formula: C28H41N5O4S MolecularWeight: 543.72124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=CC(=C1)CCCNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=[N+]=[N-])C(C)(C)C)O

Isomeric SMILES

CCCCCCCCC1=C(C(=CC(=C1)CCCNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=[N+]=[N-])C(C)(C)C)O

InChI

InChI=1S/C28H41N5O4S/c1-5-6-7-8-9-10-13-22-19-21(20-25(26(22)34)28(2,3)4)12-11-18-30-27(35)31-23-14-16-24(17-15-23)38(36,37)33-32-29/h14-17,19-20,34H,5-13,18H2,1-4H3,(H2,30,31,35)