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141335-11-7 | Benzeneacetic acid, 4-[[1-[[[(4-chlorophenyl)sulfonyl]amino]methyl]cyclopentyl]methyl]-, sodium salt (1:1)
CAS No: 141335-11-7 Catalog No: AG001G9C MDL No:
Product Description
Catalog Number:
AG001G9C
Chemical Name:
Benzeneacetic acid, 4-[[1-[[[(4-chlorophenyl)sulfonyl]amino]methyl]cyclopentyl]methyl]-, sodium salt (1:1)
CAS Number:
141335-11-7
Molecular Formula:
C21H23ClNNaO4S
Molecular Weight:
443.9194
IUPAC Name:
sodium;2-[4-[[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclohexyl]methyl]phenyl]acetate
InChI:
InChI=1S/C22H26ClNO4S.Na/c23-19-8-10-20(11-9-19)29(27,28)24-16-22(12-2-1-3-13-22)15-18-6-4-17(5-7-18)14-21(25)26;/h4-11,24H,1-3,12-16H2,(H,25,26);/q;+1/p-1
InChI Key:
JNTZXVAPKOCAQQ-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cc1ccc(cc1)CC1(CCCC1)CNS(=O)(=O)c1ccc(cc1)Cl.[Na+]
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.109g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
457.945g/mol
Monoisotopic Mass:
457.109g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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