Basic information
- CAS
65492-83-3- Standard SMILES
COc1cc2c(cc1OC)C(C)N(S(=O)(=O)c1ccccc1)CC2- InChIKey
UTNZJYLQOHPHTQ-UHFFFAOYSA-N- Molecular formula
- C18H21NO4S
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.11912932
Names & identifiers
- Preferred name
- 2-(Benzenesulfonyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 2-(benzenesulfonyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
Names & synonyms
DTXSID109840892-(Benzenesulfonyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolineRefChem:1061457DTXCID40141130965492-83-36,7-dimethoxy-1-methyl-2-(phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline(S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methyl-2-(phenylsulfonyl)isoquinolinePhenylsulfonylsalsolidineN-(Phenylsulfonyl)salsolidineBRN 1497867Maybridge3_002193Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-2-(phenylsulfonyl)-, (S)-
Show more names
Oprea1_814768UTNZJYLQOHPHTQ-UHFFFAOYSA-NHMS1437D15STK7686952-(benzenesulfonyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolineAKOS001736298AKOS022018233IDI1_013580
Database identifiers
- CAS
65492-83-3- PubChem CID
- 47644
- DTXSID
DTXSID10984089
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…