Basic information
- Standard SMILES
COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12- InChIKey
VVGZQUCINMKDIA-UHFFFAOYSA-N- Molecular formula
- C29H29N3O7S2
- Average molar mass
- 595.7 g/mol
Names & identifiers
- Preferred name
- N-(3,4-Dimethyl-5-isoxazolyl)-N-[(2-methoxyethoxy)methyl]-2-[1-(phenylsulfonyl)-1H-indol-3-yl]benzenesulfonamide
- IUPAC
- 2-[1-(benzenesulfonyl)indol-3-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide
Names & synonyms
SCHEMBL8347914VVGZQUCINMKDIA-UHFFFAOYSA-NN-(3,4-Dimethyl-5-isoxazolyl)-N-[(2-methoxyethoxy)methyl]-2-[1-(phenylsulfonyl)-1H-indol-3-yl]benzenesulfonamide
Database identifiers
- PubChem CID
- 21219232
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
2 records
Compound notes
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