1-(5-azidosulfonylpentyl)-3-[(3-dodecyl-5-methyl-4-oxidanyl-phenyl)methyl]urea

Systemtic Name: 1-(5-azidosulfonylpentyl)-3-[(3-dodecyl-5-methyl-4-oxidanyl-phenyl)methyl]urea Openeye Name: 1-(5-azidosulfonylpentyl)-3-[(3-dodecyl-4-hydroxy-5-methyl-phenyl)methyl]urea CAS Name: 1-(5-azidosulfonylpentyl)-3-[(3-dodecyl-4-hydroxy-5-methylphenyl)methyl]urea IUPAC Name: 1-(5-azidosulfonylpentyl)-3-[(3-dodecyl-4-hydroxy-5-methylphenyl)methyl]urea Traditional Name: 1-(5-azidosulfonylpentyl)-3-(4-hydroxy-3-lauryl-5-methyl-benzyl)urea Formula: C26H45N5O4S MolecularWeight: 523.7316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=CC(=C1O)C)CNC(=O)NCCCCCS(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=CC(=C1O)C)CNC(=O)NCCCCCS(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C26H45N5O4S/c1-3-4-5-6-7-8-9-10-11-13-16-24-20-23(19-22(2)25(24)32)21-29-26(33)28-17-14-12-15-18-36(34,35)31-30-27/h19-20,32H,3-18,21H2,1-2H3,(H2,28,29,33)