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89369-42-6 | Benzoic acid, 2-[[2-[(propylsulfonyl)amino]benzoyl]amino]-, ethyl ester
CAS No: 89369-42-6 Catalog No: AG003XKR MDL No:
Product Description
Catalog Number:
AG003XKR
Chemical Name:
Benzoic acid, 2-[[2-[(propylsulfonyl)amino]benzoyl]amino]-, ethyl ester
CAS Number:
89369-42-6
Molecular Formula:
C19H22N2O5S
Molecular Weight:
390.4534
IUPAC Name:
ethyl 2-[[2-(propylsulfonylamino)benzoyl]amino]benzoate
InChI:
InChI=1S/C19H22N2O5S/c1-3-13-27(24,25)21-17-12-8-5-9-14(17)18(22)20-16-11-7-6-10-15(16)19(23)26-4-2/h5-12,21H,3-4,13H2,1-2H3,(H,20,22)
InChI Key:
NHRQFPQIUDRGQS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)CCC
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.125g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.454g/mol
Monoisotopic Mass:
390.125g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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