N-(2-benzyloxy-5-{1-hydroxy-2-[3-(4-iodo-imidazol-1-yl)-1,1-dimethyl-propylamino]-ethyl}-phenyl)-phenylsulphonamide

HCID 69413237
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Basic information

Standard SMILES
CC(C)(CCn1cnc(I)c1)NCC(O)c1ccc(OCc2ccccc2)c(NS(=O)(=O)c2ccccc2)c1
InChIKey
YYWWQVYOPYNAIW-UHFFFAOYSA-N
Molecular formula
C29H33IN4O4S
Average molar mass
660.6 g/mol

Names & identifiers

Preferred name
N-(2-benzyloxy-5-{1-hydroxy-2-[3-(4-iodo-imidazol-1-yl)-1,1-dimethyl-propylamino]-ethyl}-phenyl)-phenylsulphonamide
IUPAC
N-[5-[1-hydroxy-2-[[4-(4-iodoimidazol-1-yl)-2-methylbutan-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]benzenesulfonamide

Names & synonyms

SCHEMBL5347742YYWWQVYOPYNAIW-UHFFFAOYSA-NN-(2-benzyloxy-5-{1-hydroxy-2-[3-(4-iodo-imidazol-1-yl)-1,1-dimethyl-propylamino]-ethyl}-phenyl)-phenylsulphonamide

Database identifiers

PubChem CID
69413237

Properties

Computed structural properties

XLogP
4
Topological polar surface area
114 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
13
Heavy atoms
39

Related reactions

1 records
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Compound notes

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