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88063-39-2 | Benzamide, 2-(cyanophenylacetyl)-N-[(4-methylphenyl)sulfonyl]-
CAS No: 88063-39-2 Catalog No: AG004L90 MDL No:
Product Description
Catalog Number:
AG004L90
Chemical Name:
Benzamide, 2-(cyanophenylacetyl)-N-[(4-methylphenyl)sulfonyl]-
CAS Number:
88063-39-2
Molecular Formula:
C23H18N2O4S
Molecular Weight:
418.4650
IUPAC Name:
2-(2-cyano-2-phenylacetyl)-N-(4-methylphenyl)sulfonylbenzamide
InChI:
InChI=1S/C23H18N2O4S/c1-16-11-13-18(14-12-16)30(28,29)25-23(27)20-10-6-5-9-19(20)22(26)21(15-24)17-7-3-2-4-8-17/h2-14,21H,1H3,(H,25,27)
InChI Key:
MDOHHDRNKAQZCB-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)c1ccccc1C(=O)NS(=O)(=O)c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.099g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.467g/mol
Monoisotopic Mass:
418.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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