Basic information
- Standard SMILES
O=C1[C@@H](NS(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)CCN1Cc1ccc2ccnc(Cl)c2c1- InChIKey
OLJUOUDYQCZTBV-INIZCTEOSA-N- Molecular formula
- C22H17Cl2N3O3S3
- Average molar mass
- 538.5 g/mol
Names & identifiers
- Preferred name
- 5'-Chloro-[2,2']bithiophenyl-5-sulfonic acid [1-(1-chloro-isoquinolin-7-ylmethyl)-2-oxo-pyrrolidin-3-(S)-yl]-amide
- IUPAC
- N-[(3S)-1-[(1-chloroisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide
Names & synonyms
OLJUOUDYQCZTBV-INIZCTEOSA-N5'-Chloro-[2,2']bithiophenyl-5-sulfonic acid [1-(1-chloro-isoquinolin-7-ylmethyl)-2-oxo-pyrrolidin-3-(S)-yl]-amide5'-Chloro-[2,2']bithiophenyl-5-sulfonic acid[1-(1-chloro-isoquinolin-7-ylmethyl)-2-oxo-pyrrolidin-3-(S)-yl]-amide
Database identifiers
- PubChem CID
- 86757282
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 829
Related reactions
1 records
Compound notes
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