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20271-40-3 | Benzamide, 5-chloro-N-[2-[4-[[[(cyclohexylamino)carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxy-, sodium salt (1:?)
CAS No: 20271-40-3 Catalog No: AG0028DJ MDL No:
Product Description
Catalog Number:
AG0028DJ
Chemical Name:
Benzamide, 5-chloro-N-[2-[4-[[[(cyclohexylamino)carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxy-, sodium salt (1:?)
CAS Number:
20271-40-3
Molecular Formula:
C23H28ClN3NaO5S
Molecular Weight:
516.9933
IUPAC Name:
5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;sodium
InChI:
InChI=1S/C23H28ClN3O5S.Na/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18;/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29);
InChI Key:
MWUFVSSEKUBMQU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)Cl.[Na]
EC Number:
243-664-9
Properties
Complexity:
746
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.134g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
516.993g/mol
Monoisotopic Mass:
516.134g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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