4-[3,5-di(octan-2-yl)-4-oxidanyl-phenyl]butyl N-(2-azidosulfonylethyl)carbamate

Systemtic Name: 4-[3,5-di(octan-2-yl)-4-oxidanyl-phenyl]butyl N-(2-azidosulfonylethyl)carbamate Openeye Name: 4-[4-hydroxy-3,5-bis(1-methylheptyl)phenyl]butyl N-(2-azidosulfonylethyl)carbamate CAS Name: N-(2-azidosulfonylethyl)carbamic acid 4-[4-hydroxy-3,5-di(octan-2-yl)phenyl]butyl ester IUPAC Name: 4-[4-hydroxy-3,5-di(octan-2-yl)phenyl]butyl N-(2-azidosulfonylethyl)carbamate Traditional Name: N-(2-azidosulfonylethyl)carbamic acid 4-[4-hydroxy-3,5-bis(1-methylheptyl)phenyl]butyl ester Formula: C29H50N4O5S MolecularWeight: 566.7961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=CC(=CC(=C1O)C(C)CCCCCC)CCCCOC(=O)NCCS(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

CCCCCCC(C)C1=CC(=CC(=C1O)C(C)CCCCCC)CCCCOC(=O)NCCS(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C29H50N4O5S/c1-5-7-9-11-15-23(3)26-21-25(22-27(28(26)34)24(4)16-12-10-8-6-2)17-13-14-19-38-29(35)31-18-20-39(36,37)33-32-30/h21-24,34H,5-20H2,1-4H3,(H,31,35)