[(4-Hydroxy-benzenesulfonyl)-(4-methoxy-benzyl)amino]-acetic acid methyl ester

HCID 67435286

Notes Reactions

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Basic information

Standard SMILES: COC(=O)CN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(O)cc1
InChIKey: GFEFKGITFVNKBE-UHFFFAOYSA-N
Molecular formula: C17H19NO6S
Average molar mass: 365.4 g/mol

Names & identifiers

Preferred name: [(4-Hydroxy-benzenesulfonyl)-(4-methoxy-benzyl)amino]-acetic acid methyl ester
IUPAC: methyl 2-[(4-hydroxyphenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]acetate

Names & synonyms

SCHEMBL2513385GFEFKGITFVNKBE-UHFFFAOYSA-N[(4-hydroxy-benzenesulfonyl)-(4-methoxy-benzyl)-amino]-acetic acid methyl ester[(4-hydroxy-benzenesulfonyl)-(4-methoxy-benzyl)amino]-acetic acid methyl ester

Database identifiers

PubChem CID: 67435286

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 102 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 516

Related reactions

6 records

New reaction record

HRID 159738As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 722452As productuspto-grants-2006_11

HRID 722453As reactantuspto-grants-2006_11

HRID 937148As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1662980As productuspto-grants-2011_10

HRID 1662981As reactantuspto-grants-2011_10

Compound notes

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