Basic information
- Standard SMILES
COC(=O)CC1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1- InChIKey
AJAPHNXAQMOVRV-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2O4S
- Average molar mass
- 382.9 g/mol
- Monoisotopic mass
- 382.075406
Names & identifiers
- Preferred name
- 1-[(6-Chloronaphthalen-2-yl)sulfonyl]-3-methoxycarbonylmethylpiperazine
- IUPAC
- methyl 2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-2-yl]acetate
Names & synonyms
SCHEMBL6198614AJAPHNXAQMOVRV-UHFFFAOYSA-N1-[(6-chloronaphthalen-2-yl)sulfonyl]-3-[methoxycarbonylmethyl]piperazine1-[(6-chloronaphthalen-2-yl)sulfonyl]-3-methoxycarbonylmethylpiperazine
Database identifiers
- PubChem CID
- 22709489
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 580
Related reactions
5 records
Compound notes
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