Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)O)cc1OC- InChIKey
DSSBZDRSBRHOPJ-UHFFFAOYSA-N- Molecular formula
- C18H19NO6S
- Average molar mass
- 377.4 g/mol
Names & identifiers
- Preferred name
- 2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
- IUPAC
- 2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Names & synonyms
185244-25-12-(3,4-dimethoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid2-((3,4-Dimethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid2-[(3,4-dimethoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidMFCD04060299SMR000097424CBKinase1_005402CBKinase1_017802MLS000120570SCHEMBL7366529CHEMBL1518172
Show more names
DSSBZDRSBRHOPJ-UHFFFAOYSA-NHMS2259P19SBB016099AKOS000274760AKOS016037551NS-05765CS-0328448ST50102028
Database identifiers
- PubChem CID
- 2793589
- ChEMBL
CHEMBL1518172
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 603
Related reactions
1 records
Compound notes
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