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606082-91-1 | Benzenesulfonamide, 4-[[4-(2-benzothiazolyl)-1-piperidinyl]sulfonyl]-N-(2-methylcyclohexyl)- (9CI)
CAS No: 606082-91-1 Catalog No: AG00ENUX MDL No:
Product Description
Catalog Number:
AG00ENUX
Chemical Name:
Benzenesulfonamide, 4-[[4-(2-benzothiazolyl)-1-piperidinyl]sulfonyl]-N-(2-methylcyclohexyl)- (9CI)
CAS Number:
606082-91-1
IUPAC Name:
4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N-(2-methylcyclohexyl)benzenesulfonamide
InChI:
InChI=1S/C25H31N3O4S3/c1-18-6-2-3-7-22(18)27-34(29,30)20-10-12-21(13-11-20)35(31,32)28-16-14-19(15-17-28)25-26-23-8-4-5-9-24(23)33-25/h4-5,8-13,18-19,22,27H,2-3,6-7,14-17H2,1H3
InChI Key:
CUMDPQZIIIQAJT-UHFFFAOYSA-N
Properties
Complexity:
917
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
533.148g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
533.72g/mol
Monoisotopic Mass:
533.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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