3-(3-hexyl-5-methyl-4-oxidanyl-phenyl)propyl N-(3-azidosulfonylpropyl)carbamate

Systemtic Name: 3-(3-hexyl-5-methyl-4-oxidanyl-phenyl)propyl N-(3-azidosulfonylpropyl)carbamate Openeye Name: 3-(3-hexyl-4-hydroxy-5-methyl-phenyl)propyl N-(3-azidosulfonylpropyl)carbamate CAS Name: N-(3-azidosulfonylpropyl)carbamic acid 3-(3-hexyl-4-hydroxy-5-methylphenyl)propyl ester IUPAC Name: 3-(3-hexyl-4-hydroxy-5-methylphenyl)propyl N-(3-azidosulfonylpropyl)carbamate Traditional Name: N-(3-azidosulfonylpropyl)carbamic acid 3-(3-hexyl-4-hydroxy-5-methyl-phenyl)propyl ester Formula: C20H32N4O5S MolecularWeight: 440.55688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CC(=C1O)C)CCCOC(=O)NCCCS(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

CCCCCCC1=CC(=CC(=C1O)C)CCCOC(=O)NCCCS(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C20H32N4O5S/c1-3-4-5-6-10-18-15-17(14-16(2)19(18)25)9-7-12-29-20(26)22-11-8-13-30(27,28)24-23-21/h14-15,25H,3-13H2,1-2H3,(H,22,26)