1-(3-azidosulfonylpropyl)-3-[3-[3-octyl-4-oxidanyl-5-(phenylmethyl)phenyl]propyl]urea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=CC(=C1O)CC2=CC=CC=C2)CCCNC(=O)NCCCS(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

CCCCCCCCC1=CC(=CC(=C1O)CC2=CC=CC=C2)CCCNC(=O)NCCCS(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C28H41N5O4S/c1-2-3-4-5-6-10-16-25-21-24(22-26(27(25)34)20-23-13-8-7-9-14-23)15-11-17-30-28(35)31-18-12-19-38(36,37)33-32-29/h7-9,13-14,21-22,34H,2-6,10-12,15-20H2,1H3,(H2,30,31,35)