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23093-94-9 | Butanoic acid, 4-[[4-[[(4-aminophenyl)sulfonyl]amino]phenyl]amino]-4-oxo-
CAS No: 23093-94-9 Catalog No: AG002M6W MDL No:
Product Description
Catalog Number:
AG002M6W
Chemical Name:
Butanoic acid, 4-[[4-[[(4-aminophenyl)sulfonyl]amino]phenyl]amino]-4-oxo-
CAS Number:
23093-94-9
Molecular Formula:
C16H17N3O5S
Molecular Weight:
363.3883
IUPAC Name:
4-[4-[(4-aminophenyl)sulfonylamino]anilino]-4-oxobutanoic acid
InChI:
InChI=1S/C16H17N3O5S/c17-11-1-7-14(8-2-11)25(23,24)19-13-5-3-12(4-6-13)18-15(20)9-10-16(21)22/h1-8,19H,9-10,17H2,(H,18,20)(H,21,22)
InChI Key:
GWEOSLXSLNWSDS-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N)CCC(=O)O
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.089g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
363.388g/mol
Monoisotopic Mass:
363.089g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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