methyl 2-[N-(2-dimethylaminoethyl)aminosulfonyl]-6-nitrobenzoate hydrochloride

HCID 20033752
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Basic information

Standard SMILES
COC(=O)c1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN(C)C.Cl
InChIKey
LWFMBWBSHVUKGU-UHFFFAOYSA-N
Molecular formula
C12H18ClN3O6S
Average molar mass
367.81 g/mol

Names & identifiers

Preferred name
methyl 2-[N-(2-dimethylaminoethyl)aminosulfonyl]-6-nitrobenzoate hydrochloride
IUPAC
methyl 2-[2-(dimethylamino)ethylsulfamoyl]-6-nitrobenzoate;hydrochloride

Names & synonyms

SCHEMBL10568319LWFMBWBSHVUKGU-UHFFFAOYSA-Nmethyl 2-[N-(2-dimethylaminoethyl)aminosulfonyl]-6-nitrobenzoate hydrochloride

Database identifiers

PubChem CID
20033752

Properties

Computed structural properties

Topological polar surface area
130 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
23

Related reactions

1 records
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Compound notes

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