1-[4-(4-azidosulfonylphenoxy)phenyl]-3-[4-(3-ethyl-5-octyl-4-oxidanyl-phenyl)butyl]urea

Systemtic Name: 1-[4-(4-azidosulfonylphenoxy)phenyl]-3-[4-(3-ethyl-5-octyl-4-oxidanyl-phenyl)butyl]urea Openeye Name: 1-[4-(4-azidosulfonylphenoxy)phenyl]-3-[4-(3-ethyl-4-hydroxy-5-octyl-phenyl)butyl]urea CAS Name: 1-[4-(4-azidosulfonylphenoxy)phenyl]-3-[4-(3-ethyl-4-hydroxy-5-octylphenyl)butyl]urea IUPAC Name: 1-[4-(4-azidosulfonylphenoxy)phenyl]-3-[4-(3-ethyl-4-hydroxy-5-octylphenyl)butyl]urea Traditional Name: 1-[4-(4-azidosulfonylphenoxy)phenyl]-3-[4-(3-ethyl-4-hydroxy-5-octyl-phenyl)butyl]urea Formula: C33H43N5O5S MolecularWeight: 621.79002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=CC(=C1O)CC)CCCCNC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

CCCCCCCCC1=CC(=CC(=C1O)CC)CCCCNC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C33H43N5O5S/c1-3-5-6-7-8-9-13-27-24-25(23-26(4-2)32(27)39)12-10-11-22-35-33(40)36-28-14-16-29(17-15-28)43-30-18-20-31(21-19-30)44(41,42)38-37-34/h14-21,23-24,39H,3-13,22H2,1-2H3,(H2,35,36,40)