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447450-46-6 | 4-Methyl-N-1'-(1,2,3,4-tetrahydro-1-isoquinolinylmethyl)-1-benzenesulfonamide
CAS No: 447450-46-6 Catalog No: AG00J9OH MDL No:MFCD03017733
Product Description
Catalog Number:
AG00J9OH
Chemical Name:
4-Methyl-N-1'-(1,2,3,4-tetrahydro-1-isoquinolinylmethyl)-1-benzenesulfonamide
CAS Number:
447450-46-6
Molecular Formula:
C17H20N2O2S
Molecular Weight:
316.4179
MDL Number:
MFCD03017733
IUPAC Name:
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide
InChI:
InChI=1S/C17H20N2O2S/c1-13-6-8-15(9-7-13)22(20,21)19-12-17-16-5-3-2-4-14(16)10-11-18-17/h2-9,17-19H,10-12H2,1H3
InChI Key:
QADKCMINPNJPLP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)NCC1NCCc2c1cccc2
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.125g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.419g/mol
Monoisotopic Mass:
316.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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