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Basic information
- Standard SMILES
COC(=O)c1nc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Sc1ccc(S(=O)(=O)N2CCOCC2)cc1- InChIKey
XKVVOOCXVGLGPZ-UHFFFAOYSA-N- Molecular formula
- C23H21Cl2N3O7S3
- Average molar mass
- 618.5 g/mol
Names & identifiers
- Preferred name
- 6-(2,4-Dichloro-benzenesulfonylamino)-3-[4-(morpholine-4-sulfonyl)-phenylsulfanyl]-pyridine-2-carboxylic acid methyl ester
- IUPAC
- methyl 6-[(2,4-dichlorophenyl)sulfonylamino]-3-(4-morpholin-4-ylsulfonylphenyl)sulfanylpyridine-2-carboxylate
Names & synonyms
SCHEMBL1269717XKVVOOCXVGLGPZ-UHFFFAOYSA-N6-(2,4-Dichloro-benzenesulfonylamino)-3-[4-(morpholine-4-sulfonyl)-phenylsulfanyl]-pyridine-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 57718299
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
2 records
Compound notes
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