Name: Name:4-[4-(4-bromobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid
Brand: Angene
SKU: AG01A0OI
Rating: 90 (10 reviews)

4-[4-(4-bromobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid

CAS No.:

893725-68-3

Catalog Number:

AG01A0OI

Molecular Formula:

C14H17BrN2O5S

Molecular Weight:

405.2642

Catalog Number:

AG01A0OI

Chemical Name:

4-[4-(4-bromobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid

CAS Number:

893725-68-3

Molecular Formula:

C14H17BrN2O5S

Molecular Weight:

405.2642

MDL Number:

MFCD07364257

IUPAC Name:

4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid

InChI:

InChI=1S/C14H17BrN2O5S/c15-11-1-3-12(4-2-11)23(21,22)17-9-7-16(8-10-17)13(18)5-6-14(19)20/h1-4H,5-10H2,(H,19,20)

InChI Key:

SIKBSCDVAXWLKW-UHFFFAOYSA-N

SMILES:

O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)CCC(=O)O

Complexity:

532

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

404.004g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

405.263g/mol

Monoisotopic Mass:

404.004g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5