Basic information
- Standard SMILES
CN(C)c1cccc(N(CC(=O)O)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1- InChIKey
ZTHFTXZNGRHZDW-UHFFFAOYSA-N- Molecular formula
- C20H26N2O4S
- Average molar mass
- 390.5 g/mol
Names & identifiers
- Preferred name
- [(4-tert-Butyl-benzenesulfonyl)-(3-dimethylamino-phenyl)-amino]-acetic acid
- IUPAC
- 2-[N-(4-tert-butylphenyl)sulfonyl-3-(dimethylamino)anilino]acetic acid
Names & synonyms
[(4-tert-Butyl-benzenesulfonyl)-(3-dimethylamino-phenyl)-amino]-acetic acidSCHEMBL1038658ZTHFTXZNGRHZDW-UHFFFAOYSA-NDB-336439680591-34-8
Database identifiers
- PubChem CID
- 58978433
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 598
Related reactions
41 records
Compound notes
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