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80228-91-7 | (4-(Carbamoylsulphonyl)phenethyl)((5-methylisoxazol-3-yl)carbonyl)ammonium chloride
CAS No: 80228-91-7 Catalog No: AG005NLF MDL No:
Product Description
Catalog Number:
AG005NLF
Chemical Name:
(4-(Carbamoylsulphonyl)phenethyl)((5-methylisoxazol-3-yl)carbonyl)ammonium chloride
CAS Number:
80228-91-7
Molecular Formula:
C14H16ClN3O5S
Molecular Weight:
373.8119
IUPAC Name:
2-(4-carbamoylsulfonylphenyl)ethyl-(5-methyl-1,2-oxazole-3-carbonyl)azanium;chloride
InChI:
InChI=1S/C14H15N3O5S.ClH/c1-9-8-12(17-22-9)13(18)16-7-6-10-2-4-11(5-3-10)23(20,21)14(15)19;/h2-5,8H,6-7H2,1H3,(H2,15,19)(H,16,18);1H
InChI Key:
VUTUJTJQGIJOBJ-UHFFFAOYSA-N
SMILES:
Cc1onc(c1)C(=O)[NH2+]CCc1ccc(cc1)S(=O)(=O)C(=O)N.[Cl-]
EC Number:
279-428-7
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.05g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
373.808g/mol
Monoisotopic Mass:
373.05g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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