(1aRS,7bSR)-5-{2-[((S)-1-azabicyclo[2.2.2]oct-3-yl)amino]benzenesulfonylamino}-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid

HCID 71006841
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Basic information

Standard SMILES
O=C(O)c1c(NS(=O)(=O)c2ccccc2N[C@@H]2CN3CCC2CC3)ccc2c1OCC1CC21
InChIKey
BJERFOTWYWVBHU-MKJPBZQASA-N
Molecular formula
C24H27N3O5S
Average molar mass
469.6 g/mol

Names & identifiers

Preferred name
(1aRS,7bSR)-5-{2-[((S)-1-azabicyclo[2.2.2]oct-3-yl)amino]benzenesulfonylamino}-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid
IUPAC
5-[[2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]phenyl]sulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid

Names & synonyms

SCHEMBL13832549BJERFOTWYWVBHU-MKJPBZQASA-N(1aRS,7bSR)-5-{2-[((S)-1-azabicyclo[2.2.2]oct-3-yl)amino]benzenesulfonylamino}-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid

Database identifiers

PubChem CID
71006841

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
116 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
33

Related reactions

1 records
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Linked notes

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