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10083-94-0 | Benzoic acid, 4-[[(4-methylphenyl)sulfonyl]-4-penten-1-ylamino]-, ethyl ester
CAS No: 10083-94-0 Catalog No: AG0002ZG MDL No:
Product Description
Catalog Number:
AG0002ZG
Chemical Name:
Benzoic acid, 4-[[(4-methylphenyl)sulfonyl]-4-penten-1-ylamino]-, ethyl ester
CAS Number:
10083-94-0
Molecular Formula:
C21H25NO4S
Molecular Weight:
387.4925
IUPAC Name:
ethyl 4-[(4-methylphenyl)sulfonyl-pent-4-enylamino]benzoate
InChI:
InChI=1S/C21H25NO4S/c1-4-6-7-16-22(27(24,25)20-14-8-17(3)9-15-20)19-12-10-18(11-13-19)21(23)26-5-2/h4,8-15H,1,5-7,16H2,2-3H3
InChI Key:
AWOHJMMDXYSVKQ-UHFFFAOYSA-N
SMILES:
C=CCCCN(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C(=O)OCC
NSC Number:
95998
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.15g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.494g/mol
Monoisotopic Mass:
387.15g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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