[3-octan-2-yl-4-oxidanyl-5-(phenylmethyl)phenyl]methyl N-(3-azidosulfonylpropyl)carbamate

Systemtic Name: [3-octan-2-yl-4-oxidanyl-5-(phenylmethyl)phenyl]methyl N-(3-azidosulfonylpropyl)carbamate Openeye Name: [3-benzyl-4-hydroxy-5-(1-methylheptyl)phenyl]methyl N-(3-azidosulfonylpropyl)carbamate CAS Name: N-(3-azidosulfonylpropyl)carbamic acid [4-hydroxy-3-octan-2-yl-5-(phenylmethyl)phenyl]methyl ester IUPAC Name: (3-benzyl-4-hydroxy-5-octan-2-ylphenyl)methyl N-(3-azidosulfonylpropyl)carbamate Traditional Name: N-(3-azidosulfonylpropyl)carbamic acid [3-benzyl-4-hydroxy-5-(1-methylheptyl)benzyl] ester Formula: C26H36N4O5S MolecularWeight: 516.65284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=CC(=CC(=C1O)CC2=CC=CC=C2)COC(=O)NCCCS(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

CCCCCCC(C)C1=CC(=CC(=C1O)CC2=CC=CC=C2)COC(=O)NCCCS(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C26H36N4O5S/c1-3-4-5-7-11-20(2)24-18-22(17-23(25(24)31)16-21-12-8-6-9-13-21)19-35-26(32)28-14-10-15-36(33,34)30-29-27/h6,8-9,12-13,17-18,20,31H,3-5,7,10-11,14-16,19H2,1-2H3,(H,28,32)