5-(2-tert-Butoxycarbonyl-vinyl)-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-methyl-benzoic acid methyl ester

HCID 70054896

Basic information

Standard SMILES
COC(=O)c1cc(C=CC(=O)OC(C)(C)C)cc(C)c1N(C)S(=O)(=O)c1ccc(OC)cc1
InChIKey
XLRWDFIRZWVPGN-UHFFFAOYSA-N
Molecular formula
C24H29NO7S
Average molar mass
475.6 g/mol
Monoisotopic mass
475.16647344

Names & identifiers

Preferred name
5-(2-tert-Butoxycarbonyl-vinyl)-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-methyl-benzoic acid methyl ester
IUPAC
methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]benzoate

Names & synonyms

SCHEMBL7321309XLRWDFIRZWVPGN-UHFFFAOYSA-N5-(2-tert-Butoxycarbonyl-vinyl)-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-methyl-benzoic acid methyl ester

Database identifiers

PubChem CID
70054896

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
108 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
33

Related reactions

6 records

Compound notes

Loading…