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

Systemtic Name: 1-(4-azidosulfonylphenyl)-3-[4-(3-nonyl-5-octyl-4-oxidanyl-phenyl)butyl]urea Openeye Name: 1-(4-azidosulfonylphenyl)-3-[4-(4-hydroxy-3-nonyl-5-octyl-phenyl)butyl]urea CAS Name: 1-(4-azidosulfonylphenyl)-3-[4-(4-hydroxy-3-nonyl-5-octylphenyl)butyl]urea IUPAC Name: 1-(4-azidosulfonylphenyl)-3-[4-(4-hydroxy-3-nonyl-5-octylphenyl)butyl]urea Traditional Name: 1-(4-azidosulfonylphenyl)-3-[4-(4-hydroxy-3-nonyl-5-octyl-phenyl)butyl]urea Formula: C34H53N5O4S MolecularWeight: 627.88072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=CC(=C1O)CCCCCCCC)CCCCNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

CCCCCCCCCC1=CC(=CC(=C1O)CCCCCCCC)CCCCNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C34H53N5O4S/c1-3-5-7-9-11-13-15-20-30-27-28(26-29(33(30)40)19-14-12-10-8-6-4-2)18-16-17-25-36-34(41)37-31-21-23-32(24-22-31)44(42,43)39-38-35/h21-24,26-27,40H,3-20,25H2,1-2H3,(H2,36,37,41)