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120164-91-2 | Benzenesulfonamide, 4-[[[4,5,7-trimethyl-6-[[(methylamino)carbonyl]oxy]-2-benzothiazolyl]amino]methyl]-
CAS No: 120164-91-2 Catalog No: AG000QFW MDL No:
Product Description
Catalog Number:
AG000QFW
Chemical Name:
Benzenesulfonamide, 4-[[[4,5,7-trimethyl-6-[[(methylamino)carbonyl]oxy]-2-benzothiazolyl]amino]methyl]-
CAS Number:
120164-91-2
Molecular Formula:
C19H22N4O4S2
Molecular Weight:
434.5324
IUPAC Name:
[4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] N-methylcarbamate
InChI:
InChI=1S/C19H22N4O4S2/c1-10-11(2)16(27-19(24)21-4)12(3)17-15(10)23-18(28-17)22-9-13-5-7-14(8-6-13)29(20,25)26/h5-8H,9H2,1-4H3,(H,21,24)(H,22,23)(H2,20,25,26)
InChI Key:
RPTUYUVSNIATQW-UHFFFAOYSA-N
SMILES:
CNC(=O)Oc1c(C)c2sc(nc2c(c1C)C)NCc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.108g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
434.529g/mol
Monoisotopic Mass:
434.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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